###################################################################### ########################################################################## ### ### ### Tinker9 -- Software Tools for Molecular Design ### ## ## ## Version 1.4.0 February 2023 ## ## ## ## Copyright (c) Zhi Wang & the Ponder Lab ## ### All Rights Reserved ### ### ### ########################################################################## ###################################################################### Compiled at: 15:06:46 Feb 24 2023 Commit Date: Thu Feb 23 15:33:47 2023 -0600 Commit: 294c0d90 GPU Device : Setting Device ID to 1 from CUDA-DEVICE keyword Number of X-H Constraint Groups 50 Number of X-H2 Constraint Groups 38 Number of X-H3 Constraint Groups 8 Number of Rigid Water 11314 Number of Other Constraints 0 Number of Constraints in Total 34092 Number of Atom Groups 11468 Bussi Thermostat Temperature 275.0 Kelvin Tau-Temperature 0.200 ps Monte Carlo Barostat Volume Move 100.0 Ang**3 Pressure 1.000 Atm Tau-Pressure 2.000 ps Volume Trial 25 Isotropic Fluctuation NRespa 1 Molecular Dynamics Trajectory via Velocity Verlet Algorithm Particle Mesh Ewald Parameters : Type Ewald Alpha Grid Dimensions Spline Order Electrostatics 0.4200 90 90 90 5 Random Number Generator Initialized with SEED : 244357666 Instantaneous Values for Frame Saved at 5000 Dynamics Steps Current Time 10.0000 Picosecond Current Potential -112033.2751 Kcal/mole Current Kinetic 18395.6429 Kcal/mole Lattice Lengths 69.918686 69.918686 69.918686 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 10000 Dynamics Steps Current Time 20.0000 Picosecond Current Potential -111995.4843 Kcal/mole Current Kinetic 19010.3191 Kcal/mole Lattice Lengths 69.903229 69.903229 69.903229 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 2 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 15000 Dynamics Steps Current Time 30.0000 Picosecond Current Potential -111901.8216 Kcal/mole Current Kinetic 18780.2431 Kcal/mole Lattice Lengths 69.865211 69.865211 69.865211 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 3 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 20000 Dynamics Steps Current Time 40.0000 Picosecond Current Potential -112141.3190 Kcal/mole Current Kinetic 18772.6160 Kcal/mole Lattice Lengths 69.896248 69.896248 69.896248 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 4 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 25000 Dynamics Steps Current Time 50.0000 Picosecond Current Potential -111913.6694 Kcal/mole Current Kinetic 18835.5989 Kcal/mole Lattice Lengths 69.838966 69.838966 69.838966 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 5 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 30000 Dynamics Steps Current Time 60.0000 Picosecond Current Potential -112191.1818 Kcal/mole Current Kinetic 18698.8643 Kcal/mole Lattice Lengths 69.839104 69.839104 69.839104 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 6 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 35000 Dynamics Steps Current Time 70.0000 Picosecond Current Potential -112168.2788 Kcal/mole Current Kinetic 18668.0549 Kcal/mole Lattice Lengths 69.867012 69.867012 69.867012 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 7 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 40000 Dynamics Steps Current Time 80.0000 Picosecond Current Potential -112183.1508 Kcal/mole Current Kinetic 18784.5796 Kcal/mole Lattice Lengths 69.853462 69.853462 69.853462 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 8 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 45000 Dynamics Steps Current Time 90.0000 Picosecond Current Potential -112354.8712 Kcal/mole Current Kinetic 18838.4617 Kcal/mole Lattice Lengths 69.844933 69.844933 69.844933 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 9 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 50000 Dynamics Steps Current Time 100.0000 Picosecond Current Potential -112147.7983 Kcal/mole Current Kinetic 18774.7099 Kcal/mole Lattice Lengths 69.904625 69.904625 69.904625 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 10 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 55000 Dynamics Steps Current Time 110.0000 Picosecond Current Potential -112082.5365 Kcal/mole Current Kinetic 18726.6126 Kcal/mole Lattice Lengths 69.858437 69.858437 69.858437 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 11 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 60000 Dynamics Steps Current Time 120.0000 Picosecond Current Potential -112188.1271 Kcal/mole Current Kinetic 18585.0933 Kcal/mole Lattice Lengths 69.780457 69.780457 69.780457 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 12 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 65000 Dynamics Steps Current Time 130.0000 Picosecond Current Potential -112309.8606 Kcal/mole Current Kinetic 18689.4860 Kcal/mole Lattice Lengths 69.789047 69.789047 69.789047 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 13 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 70000 Dynamics Steps Current Time 140.0000 Picosecond Current Potential -112402.3125 Kcal/mole Current Kinetic 18674.9676 Kcal/mole Lattice Lengths 69.805862 69.805862 69.805862 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 14 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 75000 Dynamics Steps Current Time 150.0000 Picosecond Current Potential -112134.6695 Kcal/mole Current Kinetic 18913.8300 Kcal/mole Lattice Lengths 69.817406 69.817406 69.817406 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 15 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 80000 Dynamics Steps Current Time 160.0000 Picosecond Current Potential -111870.3414 Kcal/mole Current Kinetic 18726.2815 Kcal/mole Lattice Lengths 69.812134 69.812134 69.812134 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 16 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 85000 Dynamics Steps Current Time 170.0000 Picosecond Current Potential -112341.1825 Kcal/mole Current Kinetic 18704.9830 Kcal/mole Lattice Lengths 69.755096 69.755096 69.755096 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 17 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 90000 Dynamics Steps Current Time 180.0000 Picosecond Current Potential -112294.3920 Kcal/mole Current Kinetic 18725.7602 Kcal/mole Lattice Lengths 69.840446 69.840446 69.840446 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 18 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 95000 Dynamics Steps Current Time 190.0000 Picosecond Current Potential -112112.7387 Kcal/mole Current Kinetic 18891.4168 Kcal/mole Lattice Lengths 69.893654 69.893654 69.893654 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 19 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 100000 Dynamics Steps Current Time 200.0000 Picosecond Current Potential -112264.7884 Kcal/mole Current Kinetic 18845.5059 Kcal/mole Lattice Lengths 69.841728 69.841728 69.841728 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 20 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 105000 Dynamics Steps Current Time 210.0000 Picosecond Current Potential -112045.1487 Kcal/mole Current Kinetic 18803.5760 Kcal/mole Lattice Lengths 69.908943 69.908943 69.908943 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 21 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 110000 Dynamics Steps Current Time 220.0000 Picosecond Current Potential -111957.5246 Kcal/mole Current Kinetic 18774.9086 Kcal/mole Lattice Lengths 69.903442 69.903442 69.903442 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 22 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 115000 Dynamics Steps Current Time 230.0000 Picosecond Current Potential -112089.1761 Kcal/mole Current Kinetic 18858.9032 Kcal/mole Lattice Lengths 69.872215 69.872215 69.872215 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 23 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 120000 Dynamics Steps Current Time 240.0000 Picosecond Current Potential -112035.9834 Kcal/mole Current Kinetic 18787.2472 Kcal/mole Lattice Lengths 69.810654 69.810654 69.810654 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 24 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 125000 Dynamics Steps Current Time 250.0000 Picosecond Current Potential -112340.1555 Kcal/mole Current Kinetic 18810.4619 Kcal/mole Lattice Lengths 69.742096 69.742096 69.742096 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 25 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 130000 Dynamics Steps Current Time 260.0000 Picosecond Current Potential -112584.0146 Kcal/mole Current Kinetic 18707.2930 Kcal/mole Lattice Lengths 69.755112 69.755112 69.755112 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 26 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 135000 Dynamics Steps Current Time 270.0000 Picosecond Current Potential -112409.3104 Kcal/mole Current Kinetic 18636.2398 Kcal/mole Lattice Lengths 69.741135 69.741135 69.741135 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 27 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 140000 Dynamics Steps Current Time 280.0000 Picosecond Current Potential -112164.0578 Kcal/mole Current Kinetic 18666.5164 Kcal/mole Lattice Lengths 69.779320 69.779320 69.779320 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 28 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 145000 Dynamics Steps Current Time 290.0000 Picosecond Current Potential -112216.5141 Kcal/mole Current Kinetic 18782.2260 Kcal/mole Lattice Lengths 69.853508 69.853508 69.853508 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 29 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 150000 Dynamics Steps Current Time 300.0000 Picosecond Current Potential -112172.3503 Kcal/mole Current Kinetic 18375.5584 Kcal/mole Lattice Lengths 69.821625 69.821625 69.821625 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 30 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 155000 Dynamics Steps Current Time 310.0000 Picosecond Current Potential -112220.6800 Kcal/mole Current Kinetic 18750.5886 Kcal/mole Lattice Lengths 69.831261 69.831261 69.831261 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 31 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 160000 Dynamics Steps Current Time 320.0000 Picosecond Current Potential -112321.8992 Kcal/mole Current Kinetic 18739.3963 Kcal/mole Lattice Lengths 69.848038 69.848038 69.848038 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 32 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 165000 Dynamics Steps Current Time 330.0000 Picosecond Current Potential -112119.5064 Kcal/mole Current Kinetic 18818.3663 Kcal/mole Lattice Lengths 69.747116 69.747116 69.747116 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 33 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 170000 Dynamics Steps Current Time 340.0000 Picosecond Current Potential -112360.4665 Kcal/mole Current Kinetic 18743.5409 Kcal/mole Lattice Lengths 69.638596 69.638596 69.638596 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 34 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 175000 Dynamics Steps Current Time 350.0000 Picosecond Current Potential -112113.4825 Kcal/mole Current Kinetic 18719.6917 Kcal/mole Lattice Lengths 69.658699 69.658699 69.658699 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 35 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 180000 Dynamics Steps Current Time 360.0000 Picosecond Current Potential -112210.2774 Kcal/mole Current Kinetic 18730.4536 Kcal/mole Lattice Lengths 69.728844 69.728844 69.728844 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 36 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 185000 Dynamics Steps Current Time 370.0000 Picosecond Current Potential -112200.6737 Kcal/mole Current Kinetic 18883.8059 Kcal/mole Lattice Lengths 69.710472 69.710472 69.710472 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 37 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 190000 Dynamics Steps Current Time 380.0000 Picosecond Current Potential -112141.5243 Kcal/mole Current Kinetic 18769.0007 Kcal/mole Lattice Lengths 69.688896 69.688896 69.688896 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 38 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 195000 Dynamics Steps Current Time 390.0000 Picosecond Current Potential -112316.4304 Kcal/mole Current Kinetic 18623.1312 Kcal/mole Lattice Lengths 69.732292 69.732292 69.732292 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 39 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 200000 Dynamics Steps Current Time 400.0000 Picosecond Current Potential -112230.1876 Kcal/mole Current Kinetic 18811.0802 Kcal/mole Lattice Lengths 69.727165 69.727165 69.727165 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 40 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 205000 Dynamics Steps Current Time 410.0000 Picosecond Current Potential -112128.2404 Kcal/mole Current Kinetic 18649.5992 Kcal/mole Lattice Lengths 69.720284 69.720284 69.720284 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 41 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 210000 Dynamics Steps Current Time 420.0000 Picosecond Current Potential -112425.9462 Kcal/mole Current Kinetic 18779.0930 Kcal/mole Lattice Lengths 69.734413 69.734413 69.734413 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 42 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 215000 Dynamics Steps Current Time 430.0000 Picosecond Current Potential -112411.1795 Kcal/mole Current Kinetic 18619.9647 Kcal/mole Lattice Lengths 69.740578 69.740578 69.740578 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 43 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 220000 Dynamics Steps Current Time 440.0000 Picosecond Current Potential -112311.4779 Kcal/mole Current Kinetic 18850.4067 Kcal/mole Lattice Lengths 69.750107 69.750107 69.750107 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 44 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 225000 Dynamics Steps Current Time 450.0000 Picosecond Current Potential -112718.6100 Kcal/mole Current Kinetic 18786.1117 Kcal/mole Lattice Lengths 69.750877 69.750877 69.750877 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 45 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 230000 Dynamics Steps Current Time 460.0000 Picosecond Current Potential -112155.5589 Kcal/mole Current Kinetic 18740.1515 Kcal/mole Lattice Lengths 69.749489 69.749489 69.749489 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 46 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 235000 Dynamics Steps Current Time 470.0000 Picosecond Current Potential -112203.9269 Kcal/mole Current Kinetic 18663.2282 Kcal/mole Lattice Lengths 69.763916 69.763916 69.763916 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 47 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 240000 Dynamics Steps Current Time 480.0000 Picosecond Current Potential -112456.8878 Kcal/mole Current Kinetic 18712.2405 Kcal/mole Lattice Lengths 69.757538 69.757538 69.757538 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 48 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 245000 Dynamics Steps Current Time 490.0000 Picosecond Current Potential -112328.3945 Kcal/mole Current Kinetic 18644.8454 Kcal/mole Lattice Lengths 69.809334 69.809334 69.809334 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 49 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 250000 Dynamics Steps Current Time 500.0000 Picosecond Current Potential -112298.4374 Kcal/mole Current Kinetic 18630.7077 Kcal/mole Lattice Lengths 69.759377 69.759377 69.759377 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 50 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 255000 Dynamics Steps Current Time 510.0000 Picosecond Current Potential -112354.9566 Kcal/mole Current Kinetic 18820.9004 Kcal/mole Lattice Lengths 69.790802 69.790802 69.790802 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 51 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 260000 Dynamics Steps Current Time 520.0000 Picosecond Current Potential -112247.2176 Kcal/mole Current Kinetic 18688.3787 Kcal/mole Lattice Lengths 69.809448 69.809448 69.809448 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 52 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 265000 Dynamics Steps Current Time 530.0000 Picosecond Current Potential -111966.5456 Kcal/mole Current Kinetic 18905.9185 Kcal/mole Lattice Lengths 69.869125 69.869125 69.869125 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 53 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 270000 Dynamics Steps Current Time 540.0000 Picosecond Current Potential -112362.4786 Kcal/mole Current Kinetic 18611.1882 Kcal/mole Lattice Lengths 69.821732 69.821732 69.821732 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 54 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 275000 Dynamics Steps Current Time 550.0000 Picosecond Current Potential -112227.3896 Kcal/mole Current Kinetic 18702.2236 Kcal/mole Lattice Lengths 69.865654 69.865654 69.865654 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 55 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 280000 Dynamics Steps Current Time 560.0000 Picosecond Current Potential -112126.4156 Kcal/mole Current Kinetic 18931.8823 Kcal/mole Lattice Lengths 69.852562 69.852562 69.852562 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 56 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 285000 Dynamics Steps Current Time 570.0000 Picosecond Current Potential -112429.2087 Kcal/mole Current Kinetic 18837.7370 Kcal/mole Lattice Lengths 69.851608 69.851608 69.851608 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 57 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 290000 Dynamics Steps Current Time 580.0000 Picosecond Current Potential -112133.2698 Kcal/mole Current Kinetic 18696.6479 Kcal/mole Lattice Lengths 69.758011 69.758011 69.758011 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 58 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 295000 Dynamics Steps Current Time 590.0000 Picosecond Current Potential -112388.4343 Kcal/mole Current Kinetic 18671.0510 Kcal/mole Lattice Lengths 69.751419 69.751419 69.751419 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 59 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 300000 Dynamics Steps Current Time 600.0000 Picosecond Current Potential -112290.5162 Kcal/mole Current Kinetic 18726.0107 Kcal/mole Lattice Lengths 69.778442 69.778442 69.778442 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 60 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 305000 Dynamics Steps Current Time 610.0000 Picosecond Current Potential -112208.7880 Kcal/mole Current Kinetic 18609.3836 Kcal/mole Lattice Lengths 69.806297 69.806297 69.806297 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 61 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 310000 Dynamics Steps Current Time 620.0000 Picosecond Current Potential -112258.1703 Kcal/mole Current Kinetic 18610.6499 Kcal/mole Lattice Lengths 69.827095 69.827095 69.827095 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 62 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 315000 Dynamics Steps Current Time 630.0000 Picosecond Current Potential -112291.3013 Kcal/mole Current Kinetic 18751.9842 Kcal/mole Lattice Lengths 69.779617 69.779617 69.779617 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 63 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 320000 Dynamics Steps Current Time 640.0000 Picosecond Current Potential -112336.3319 Kcal/mole Current Kinetic 18731.0467 Kcal/mole Lattice Lengths 69.756721 69.756721 69.756721 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 64 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 325000 Dynamics Steps Current Time 650.0000 Picosecond Current Potential -112122.2081 Kcal/mole Current Kinetic 18732.2645 Kcal/mole Lattice Lengths 69.762344 69.762344 69.762344 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 65 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 330000 Dynamics Steps Current Time 660.0000 Picosecond Current Potential -112211.7734 Kcal/mole Current Kinetic 18640.9985 Kcal/mole Lattice Lengths 69.769585 69.769585 69.769585 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 66 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 335000 Dynamics Steps Current Time 670.0000 Picosecond Current Potential -112375.7338 Kcal/mole Current Kinetic 18639.0763 Kcal/mole Lattice Lengths 69.802361 69.802361 69.802361 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 67 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 340000 Dynamics Steps Current Time 680.0000 Picosecond Current Potential -112201.1570 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Picosecond Current Potential -112065.9063 Kcal/mole Current Kinetic 18839.6483 Kcal/mole Lattice Lengths 69.769073 69.769073 69.769073 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1856 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9285000 Dynamics Steps Current Time 18570.0000 Picosecond Current Potential -112356.8157 Kcal/mole Current Kinetic 18666.5423 Kcal/mole Lattice Lengths 69.700539 69.700539 69.700539 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1857 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9290000 Dynamics Steps Current Time 18580.0000 Picosecond Current Potential -112223.3178 Kcal/mole Current Kinetic 18880.0911 Kcal/mole Lattice Lengths 69.709656 69.709656 69.709656 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1858 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9295000 Dynamics Steps Current Time 18590.0000 Picosecond Current Potential -112337.6730 Kcal/mole Current 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Number 1865 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9330000 Dynamics Steps Current Time 18660.0000 Picosecond Current Potential -112170.1988 Kcal/mole Current Kinetic 18683.4030 Kcal/mole Lattice Lengths 69.799515 69.799515 69.799515 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1866 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9335000 Dynamics Steps Current Time 18670.0000 Picosecond Current Potential -112510.9992 Kcal/mole Current Kinetic 18390.2375 Kcal/mole Lattice Lengths 69.793610 69.793610 69.793610 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1867 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9340000 Dynamics Steps Current Time 18680.0000 Picosecond Current Potential -112328.9588 Kcal/mole Current Kinetic 18870.7457 Kcal/mole Lattice Lengths 69.787819 69.787819 69.787819 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1868 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9345000 Dynamics Steps Current Time 18690.0000 Picosecond Current Potential -112211.5336 Kcal/mole Current Kinetic 18821.1399 Kcal/mole Lattice Lengths 69.752502 69.752502 69.752502 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1869 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9350000 Dynamics Steps Current Time 18700.0000 Picosecond Current Potential -112312.3400 Kcal/mole Current Kinetic 18873.0561 Kcal/mole Lattice Lengths 69.755432 69.755432 69.755432 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1870 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9355000 Dynamics Steps Current Time 18710.0000 Picosecond Current Potential -112104.2784 Kcal/mole Current Kinetic 18849.8643 Kcal/mole Lattice Lengths 69.761436 69.761436 69.761436 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1871 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9360000 Dynamics Steps Current Time 18720.0000 Picosecond Current Potential -112319.3805 Kcal/mole Current Kinetic 18701.5826 Kcal/mole Lattice Lengths 69.790977 69.790977 69.790977 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1872 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9365000 Dynamics Steps Current Time 18730.0000 Picosecond Current Potential -112444.1146 Kcal/mole Current Kinetic 18727.8895 Kcal/mole Lattice Lengths 69.863464 69.863464 69.863464 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1873 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9370000 Dynamics Steps Current Time 18740.0000 Picosecond Current Potential -112186.0333 Kcal/mole Current Kinetic 18842.2495 Kcal/mole Lattice Lengths 69.775070 69.775070 69.775070 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1874 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9375000 Dynamics Steps Current Time 18750.0000 Picosecond Current Potential -112404.6584 Kcal/mole Current 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69.829681 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1878 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9395000 Dynamics Steps Current Time 18790.0000 Picosecond Current Potential -111928.0248 Kcal/mole Current Kinetic 18683.2885 Kcal/mole Lattice Lengths 69.908127 69.908127 69.908127 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1879 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9400000 Dynamics Steps Current Time 18800.0000 Picosecond Current Potential -112015.2802 Kcal/mole Current Kinetic 18818.4131 Kcal/mole Lattice Lengths 69.848900 69.848900 69.848900 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1880 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9405000 Dynamics Steps Current Time 18810.0000 Picosecond Current Potential -112425.5155 Kcal/mole Current Kinetic 18755.9753 Kcal/mole Lattice Lengths 69.817406 69.817406 69.817406 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1881 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9410000 Dynamics Steps Current Time 18820.0000 Picosecond Current Potential -112160.0628 Kcal/mole Current Kinetic 18688.2430 Kcal/mole Lattice Lengths 69.817574 69.817574 69.817574 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1882 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9415000 Dynamics Steps Current Time 18830.0000 Picosecond Current Potential -112441.4549 Kcal/mole Current Kinetic 18737.9836 Kcal/mole Lattice Lengths 69.820129 69.820129 69.820129 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1883 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9420000 Dynamics Steps Current Time 18840.0000 Picosecond Current Potential -112308.9524 Kcal/mole Current Kinetic 18610.3501 Kcal/mole Lattice Lengths 69.839752 69.839752 69.839752 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1884 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9425000 Dynamics Steps Current Time 18850.0000 Picosecond Current Potential -112201.6475 Kcal/mole Current Kinetic 18616.6234 Kcal/mole Lattice Lengths 69.860474 69.860474 69.860474 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1885 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9430000 Dynamics Steps Current Time 18860.0000 Picosecond Current Potential -112237.5006 Kcal/mole Current Kinetic 18694.7866 Kcal/mole Lattice Lengths 69.817284 69.817284 69.817284 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1886 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9435000 Dynamics Steps Current Time 18870.0000 Picosecond Current Potential -112131.3715 Kcal/mole Current Kinetic 18683.4190 Kcal/mole Lattice Lengths 69.828072 69.828072 69.828072 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1887 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9440000 Dynamics Steps Current Time 18880.0000 Picosecond Current Potential -112244.5159 Kcal/mole Current Kinetic 18900.8330 Kcal/mole Lattice Lengths 69.768387 69.768387 69.768387 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1888 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9445000 Dynamics Steps Current Time 18890.0000 Picosecond Current Potential -112096.5925 Kcal/mole Current Kinetic 18887.9185 Kcal/mole Lattice Lengths 69.764023 69.764023 69.764023 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1889 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9450000 Dynamics Steps Current Time 18900.0000 Picosecond Current Potential -111942.5961 Kcal/mole Current Kinetic 18751.2794 Kcal/mole Lattice Lengths 69.782799 69.782799 69.782799 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1890 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9455000 Dynamics Steps Current Time 18910.0000 Picosecond Current Potential -112295.4673 Kcal/mole Current Kinetic 18760.2843 Kcal/mole Lattice Lengths 69.762383 69.762383 69.762383 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1891 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9460000 Dynamics Steps Current Time 18920.0000 Picosecond Current Potential -112159.2707 Kcal/mole Current Kinetic 18847.6209 Kcal/mole Lattice Lengths 69.761887 69.761887 69.761887 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1892 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9465000 Dynamics Steps Current Time 18930.0000 Picosecond Current Potential -112235.1623 Kcal/mole Current Kinetic 18749.0968 Kcal/mole Lattice Lengths 69.751945 69.751945 69.751945 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1893 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9470000 Dynamics Steps Current Time 18940.0000 Picosecond Current Potential -112094.3282 Kcal/mole Current Kinetic 18775.1279 Kcal/mole Lattice Lengths 69.720879 69.720879 69.720879 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1894 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9475000 Dynamics Steps Current Time 18950.0000 Picosecond Current Potential -112214.3749 Kcal/mole Current Kinetic 18692.5911 Kcal/mole Lattice Lengths 69.777435 69.777435 69.777435 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1895 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9480000 Dynamics Steps Current Time 18960.0000 Picosecond Current Potential -112124.7943 Kcal/mole Current Kinetic 18633.0632 Kcal/mole Lattice Lengths 69.823822 69.823822 69.823822 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1896 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9485000 Dynamics Steps Current Time 18970.0000 Picosecond Current Potential -112107.7585 Kcal/mole Current Kinetic 18696.4295 Kcal/mole Lattice Lengths 69.813835 69.813835 69.813835 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1897 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9490000 Dynamics Steps Current Time 18980.0000 Picosecond Current Potential -111972.4757 Kcal/mole Current Kinetic 18657.8719 Kcal/mole Lattice Lengths 69.842903 69.842903 69.842903 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1898 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9495000 Dynamics Steps Current Time 18990.0000 Picosecond Current Potential -112283.1204 Kcal/mole Current Kinetic 18917.9897 Kcal/mole Lattice Lengths 69.774467 69.774467 69.774467 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1899 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9500000 Dynamics Steps Current Time 19000.0000 Picosecond Current Potential -112050.9039 Kcal/mole Current Kinetic 18835.4809 Kcal/mole Lattice Lengths 69.809608 69.809608 69.809608 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1900 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9505000 Dynamics Steps Current Time 19010.0000 Picosecond Current Potential -112233.6868 Kcal/mole Current Kinetic 18662.7338 Kcal/mole Lattice Lengths 69.869080 69.869080 69.869080 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1901 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9510000 Dynamics Steps Current Time 19020.0000 Picosecond Current Potential -111991.0735 Kcal/mole Current Kinetic 18691.3934 Kcal/mole Lattice Lengths 69.880173 69.880173 69.880173 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1902 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9515000 Dynamics Steps Current Time 19030.0000 Picosecond Current Potential -112303.5636 Kcal/mole Current Kinetic 18798.0645 Kcal/mole Lattice Lengths 69.836159 69.836159 69.836159 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1903 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9520000 Dynamics Steps Current Time 19040.0000 Picosecond Current Potential -111932.0804 Kcal/mole Current Kinetic 18717.4198 Kcal/mole Lattice Lengths 69.851700 69.851700 69.851700 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1904 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9525000 Dynamics Steps Current Time 19050.0000 Picosecond Current Potential -112312.5002 Kcal/mole Current Kinetic 18754.0741 Kcal/mole Lattice Lengths 69.888855 69.888855 69.888855 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1905 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9530000 Dynamics Steps Current Time 19060.0000 Picosecond Current Potential -112035.0167 Kcal/mole Current Kinetic 18891.2913 Kcal/mole Lattice Lengths 69.822464 69.822464 69.822464 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1906 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9535000 Dynamics Steps Current Time 19070.0000 Picosecond Current Potential -111985.3433 Kcal/mole Current Kinetic 18862.7123 Kcal/mole Lattice Lengths 69.841537 69.841537 69.841537 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1907 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9540000 Dynamics Steps Current Time 19080.0000 Picosecond Current Potential -112191.3427 Kcal/mole Current Kinetic 18783.5789 Kcal/mole Lattice Lengths 69.867142 69.867142 69.867142 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1908 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9545000 Dynamics Steps Current Time 19090.0000 Picosecond Current Potential -112218.6156 Kcal/mole Current Kinetic 18798.3646 Kcal/mole Lattice Lengths 69.818260 69.818260 69.818260 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1909 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9550000 Dynamics Steps Current Time 19100.0000 Picosecond Current Potential -112262.4464 Kcal/mole Current Kinetic 18668.0201 Kcal/mole Lattice Lengths 69.803993 69.803993 69.803993 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1910 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9555000 Dynamics Steps Current Time 19110.0000 Picosecond Current Potential -112215.2627 Kcal/mole Current Kinetic 18847.9318 Kcal/mole Lattice Lengths 69.775108 69.775108 69.775108 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1911 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9560000 Dynamics Steps Current Time 19120.0000 Picosecond Current Potential -112270.3618 Kcal/mole Current Kinetic 18926.5516 Kcal/mole Lattice Lengths 69.762436 69.762436 69.762436 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1912 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9565000 Dynamics Steps Current Time 19130.0000 Picosecond Current Potential -112287.3978 Kcal/mole Current Kinetic 18951.3598 Kcal/mole Lattice Lengths 69.736343 69.736343 69.736343 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1913 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9570000 Dynamics Steps Current Time 19140.0000 Picosecond Current Potential -112526.0265 Kcal/mole Current Kinetic 18852.4590 Kcal/mole Lattice Lengths 69.779480 69.779480 69.779480 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1914 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9575000 Dynamics Steps Current Time 19150.0000 Picosecond Current Potential -112413.1971 Kcal/mole Current Kinetic 18727.1795 Kcal/mole Lattice Lengths 69.775642 69.775642 69.775642 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1915 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9580000 Dynamics Steps Current Time 19160.0000 Picosecond Current Potential -112064.6342 Kcal/mole Current Kinetic 18914.8065 Kcal/mole Lattice Lengths 69.755844 69.755844 69.755844 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1916 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9585000 Dynamics Steps Current Time 19170.0000 Picosecond Current Potential -111840.5991 Kcal/mole Current Kinetic 18826.5943 Kcal/mole Lattice Lengths 69.713539 69.713539 69.713539 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1917 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9590000 Dynamics Steps Current Time 19180.0000 Picosecond Current Potential -111921.3979 Kcal/mole Current Kinetic 18769.5104 Kcal/mole Lattice Lengths 69.753143 69.753143 69.753143 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1918 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9595000 Dynamics Steps Current Time 19190.0000 Picosecond Current Potential -112162.7377 Kcal/mole Current Kinetic 18638.6203 Kcal/mole Lattice Lengths 69.753006 69.753006 69.753006 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1919 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9600000 Dynamics Steps Current Time 19200.0000 Picosecond Current Potential -112173.9390 Kcal/mole Current Kinetic 18940.0290 Kcal/mole Lattice Lengths 69.823318 69.823318 69.823318 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1920 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9605000 Dynamics Steps Current Time 19210.0000 Picosecond Current Potential -112145.0363 Kcal/mole Current Kinetic 18698.9334 Kcal/mole Lattice Lengths 69.803535 69.803535 69.803535 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1921 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9610000 Dynamics Steps Current Time 19220.0000 Picosecond Current Potential -112020.8015 Kcal/mole Current Kinetic 18873.2416 Kcal/mole Lattice Lengths 69.862587 69.862587 69.862587 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1922 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9615000 Dynamics Steps Current Time 19230.0000 Picosecond Current Potential -112234.6227 Kcal/mole Current 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69.780701 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1926 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9635000 Dynamics Steps Current Time 19270.0000 Picosecond Current Potential -112377.4856 Kcal/mole Current Kinetic 18746.2948 Kcal/mole Lattice Lengths 69.798988 69.798988 69.798988 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1927 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9640000 Dynamics Steps Current Time 19280.0000 Picosecond Current Potential -112285.6047 Kcal/mole Current Kinetic 18650.5949 Kcal/mole Lattice Lengths 69.721359 69.721359 69.721359 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1928 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9645000 Dynamics Steps Current Time 19290.0000 Picosecond Current Potential -112100.8733 Kcal/mole Current Kinetic 18719.1246 Kcal/mole Lattice Lengths 69.705078 69.705078 69.705078 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1929 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9650000 Dynamics Steps Current Time 19300.0000 Picosecond Current Potential -112441.0993 Kcal/mole Current Kinetic 18840.4874 Kcal/mole Lattice Lengths 69.665344 69.665344 69.665344 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1930 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9655000 Dynamics Steps Current Time 19310.0000 Picosecond Current Potential -112248.2165 Kcal/mole Current Kinetic 18656.2168 Kcal/mole Lattice Lengths 69.813301 69.813301 69.813301 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1931 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9660000 Dynamics Steps Current Time 19320.0000 Picosecond Current Potential -112540.2639 Kcal/mole Current Kinetic 18781.4535 Kcal/mole Lattice Lengths 69.821114 69.821114 69.821114 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1932 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9665000 Dynamics Steps Current Time 19330.0000 Picosecond Current Potential -112205.6456 Kcal/mole Current Kinetic 18842.2854 Kcal/mole Lattice Lengths 69.742607 69.742607 69.742607 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1933 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9670000 Dynamics Steps Current Time 19340.0000 Picosecond Current Potential -112238.8527 Kcal/mole Current Kinetic 18665.5259 Kcal/mole Lattice Lengths 69.762459 69.762459 69.762459 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1934 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9675000 Dynamics Steps Current Time 19350.0000 Picosecond Current Potential -112343.4922 Kcal/mole Current Kinetic 18608.7303 Kcal/mole Lattice Lengths 69.810555 69.810555 69.810555 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1935 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9680000 Dynamics Steps Current Time 19360.0000 Picosecond Current Potential -112218.6599 Kcal/mole Current Kinetic 18771.2957 Kcal/mole Lattice Lengths 69.774246 69.774246 69.774246 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1936 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9685000 Dynamics Steps Current Time 19370.0000 Picosecond Current Potential -112318.1820 Kcal/mole Current Kinetic 18880.0989 Kcal/mole Lattice Lengths 69.834534 69.834534 69.834534 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1937 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9690000 Dynamics Steps Current Time 19380.0000 Picosecond Current Potential -112460.1458 Kcal/mole Current Kinetic 18602.0175 Kcal/mole Lattice Lengths 69.815536 69.815536 69.815536 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1938 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9695000 Dynamics Steps Current Time 19390.0000 Picosecond Current Potential -112330.2402 Kcal/mole Current 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69.811127 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1942 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9715000 Dynamics Steps Current Time 19430.0000 Picosecond Current Potential -112183.3598 Kcal/mole Current Kinetic 18690.5213 Kcal/mole Lattice Lengths 69.836998 69.836998 69.836998 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1943 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9720000 Dynamics Steps Current Time 19440.0000 Picosecond Current Potential -112029.5035 Kcal/mole Current Kinetic 18670.3146 Kcal/mole Lattice Lengths 69.815010 69.815010 69.815010 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1944 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9725000 Dynamics Steps Current Time 19450.0000 Picosecond Current Potential -112052.5783 Kcal/mole Current Kinetic 18817.7259 Kcal/mole Lattice Lengths 69.777000 69.777000 69.777000 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1945 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9730000 Dynamics Steps Current Time 19460.0000 Picosecond Current Potential -112194.0038 Kcal/mole Current Kinetic 18603.9715 Kcal/mole Lattice Lengths 69.778091 69.778091 69.778091 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1946 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9735000 Dynamics Steps Current Time 19470.0000 Picosecond Current Potential -112405.0611 Kcal/mole Current Kinetic 19062.2734 Kcal/mole Lattice Lengths 69.769875 69.769875 69.769875 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1947 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9740000 Dynamics Steps Current Time 19480.0000 Picosecond Current Potential -111856.9849 Kcal/mole Current Kinetic 18867.3752 Kcal/mole Lattice Lengths 69.793976 69.793976 69.793976 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1948 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9745000 Dynamics Steps Current Time 19490.0000 Picosecond Current Potential -112233.3277 Kcal/mole Current Kinetic 18677.8503 Kcal/mole Lattice Lengths 69.757919 69.757919 69.757919 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1949 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9750000 Dynamics Steps Current Time 19500.0000 Picosecond Current Potential -112150.5264 Kcal/mole Current Kinetic 18767.5759 Kcal/mole Lattice Lengths 69.809258 69.809258 69.809258 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1950 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9755000 Dynamics Steps Current Time 19510.0000 Picosecond Current Potential -112291.8397 Kcal/mole Current Kinetic 18870.4386 Kcal/mole Lattice Lengths 69.826439 69.826439 69.826439 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1951 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9760000 Dynamics Steps Current Time 19520.0000 Picosecond Current Potential -112470.2600 Kcal/mole Current Kinetic 18710.0159 Kcal/mole Lattice Lengths 69.845879 69.845879 69.845879 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1952 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9765000 Dynamics Steps Current Time 19530.0000 Picosecond Current Potential -112265.7986 Kcal/mole Current Kinetic 18525.1148 Kcal/mole Lattice Lengths 69.770447 69.770447 69.770447 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1953 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9770000 Dynamics Steps Current Time 19540.0000 Picosecond Current Potential -112140.3743 Kcal/mole Current Kinetic 18715.1518 Kcal/mole Lattice Lengths 69.856560 69.856560 69.856560 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1954 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9775000 Dynamics Steps Current Time 19550.0000 Picosecond Current Potential -112160.8048 Kcal/mole Current Kinetic 18853.3312 Kcal/mole Lattice Lengths 69.887100 69.887100 69.887100 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1955 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9780000 Dynamics Steps Current Time 19560.0000 Picosecond Current Potential -112171.5214 Kcal/mole Current Kinetic 18798.1516 Kcal/mole Lattice Lengths 69.833092 69.833092 69.833092 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1956 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9785000 Dynamics Steps Current Time 19570.0000 Picosecond Current Potential -112271.5674 Kcal/mole Current Kinetic 18667.4567 Kcal/mole Lattice Lengths 69.844017 69.844017 69.844017 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1957 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9790000 Dynamics Steps Current Time 19580.0000 Picosecond Current Potential -111978.4834 Kcal/mole Current Kinetic 18748.5705 Kcal/mole Lattice Lengths 69.843529 69.843529 69.843529 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1958 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9795000 Dynamics Steps Current Time 19590.0000 Picosecond Current Potential -112146.6435 Kcal/mole Current Kinetic 18742.2072 Kcal/mole Lattice Lengths 69.806572 69.806572 69.806572 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1959 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9800000 Dynamics Steps Current Time 19600.0000 Picosecond Current Potential -112409.0927 Kcal/mole Current Kinetic 18602.8186 Kcal/mole Lattice Lengths 69.717255 69.717255 69.717255 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1960 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9805000 Dynamics Steps Current Time 19610.0000 Picosecond Current Potential -112336.2965 Kcal/mole Current Kinetic 18629.2636 Kcal/mole Lattice Lengths 69.746407 69.746407 69.746407 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1961 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9810000 Dynamics Steps Current Time 19620.0000 Picosecond Current Potential -111998.7788 Kcal/mole Current Kinetic 18881.4782 Kcal/mole Lattice Lengths 69.853119 69.853119 69.853119 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1962 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9815000 Dynamics Steps Current Time 19630.0000 Picosecond Current Potential -112281.7489 Kcal/mole Current Kinetic 18595.1672 Kcal/mole Lattice Lengths 69.762749 69.762749 69.762749 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1963 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9820000 Dynamics Steps Current Time 19640.0000 Picosecond Current Potential -112145.8449 Kcal/mole Current Kinetic 18778.7432 Kcal/mole Lattice Lengths 69.757904 69.757904 69.757904 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1964 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9825000 Dynamics Steps Current Time 19650.0000 Picosecond Current Potential -112224.6408 Kcal/mole Current Kinetic 18745.4309 Kcal/mole Lattice Lengths 69.828690 69.828690 69.828690 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1965 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9830000 Dynamics Steps Current Time 19660.0000 Picosecond Current Potential -112163.4789 Kcal/mole Current Kinetic 18799.2877 Kcal/mole Lattice Lengths 69.783363 69.783363 69.783363 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1966 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9835000 Dynamics Steps Current Time 19670.0000 Picosecond Current Potential -112334.8942 Kcal/mole Current Kinetic 18839.6832 Kcal/mole Lattice Lengths 69.833305 69.833305 69.833305 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1967 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9840000 Dynamics Steps Current Time 19680.0000 Picosecond Current Potential -112118.9380 Kcal/mole Current Kinetic 18870.4803 Kcal/mole Lattice Lengths 69.839714 69.839714 69.839714 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1968 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9845000 Dynamics Steps Current Time 19690.0000 Picosecond Current Potential -112286.7350 Kcal/mole Current Kinetic 18727.6925 Kcal/mole Lattice Lengths 69.782860 69.782860 69.782860 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1969 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9850000 Dynamics Steps Current Time 19700.0000 Picosecond Current Potential -112242.7617 Kcal/mole Current Kinetic 18785.4211 Kcal/mole Lattice Lengths 69.820229 69.820229 69.820229 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1970 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9855000 Dynamics Steps Current Time 19710.0000 Picosecond Current Potential -112160.8671 Kcal/mole Current Kinetic 18736.4132 Kcal/mole Lattice Lengths 69.780235 69.780235 69.780235 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1971 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9860000 Dynamics Steps Current Time 19720.0000 Picosecond Current Potential -112440.6810 Kcal/mole Current Kinetic 18783.1846 Kcal/mole Lattice Lengths 69.667999 69.667999 69.667999 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1972 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9865000 Dynamics Steps Current Time 19730.0000 Picosecond Current Potential -112237.6809 Kcal/mole Current Kinetic 18697.3480 Kcal/mole Lattice Lengths 69.841583 69.841583 69.841583 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1973 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9870000 Dynamics Steps Current Time 19740.0000 Picosecond Current Potential -112329.2558 Kcal/mole Current Kinetic 18896.0862 Kcal/mole Lattice Lengths 69.821251 69.821251 69.821251 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1974 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9875000 Dynamics Steps Current Time 19750.0000 Picosecond Current Potential -112158.5474 Kcal/mole Current Kinetic 18709.0850 Kcal/mole Lattice Lengths 69.816414 69.816414 69.816414 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1975 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9880000 Dynamics Steps Current Time 19760.0000 Picosecond Current Potential -112166.1214 Kcal/mole Current Kinetic 18714.4904 Kcal/mole Lattice Lengths 69.859528 69.859528 69.859528 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1976 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9885000 Dynamics Steps Current Time 19770.0000 Picosecond Current Potential -112260.7949 Kcal/mole Current Kinetic 18885.0456 Kcal/mole Lattice Lengths 69.812843 69.812843 69.812843 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1977 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9890000 Dynamics Steps Current Time 19780.0000 Picosecond Current Potential -112041.7320 Kcal/mole Current Kinetic 18623.2926 Kcal/mole Lattice Lengths 69.817528 69.817528 69.817528 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1978 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9895000 Dynamics Steps Current Time 19790.0000 Picosecond Current Potential -112193.2504 Kcal/mole Current Kinetic 18658.4211 Kcal/mole Lattice Lengths 69.810875 69.810875 69.810875 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1979 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9900000 Dynamics Steps Current Time 19800.0000 Picosecond Current Potential -112360.2688 Kcal/mole Current Kinetic 18796.8972 Kcal/mole Lattice Lengths 69.821083 69.821083 69.821083 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1980 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9905000 Dynamics Steps Current Time 19810.0000 Picosecond Current Potential -112300.7780 Kcal/mole Current Kinetic 18664.2817 Kcal/mole Lattice Lengths 69.802361 69.802361 69.802361 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1981 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9910000 Dynamics Steps Current Time 19820.0000 Picosecond Current Potential -112201.1431 Kcal/mole Current Kinetic 18803.7180 Kcal/mole Lattice Lengths 69.849205 69.849205 69.849205 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1982 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9915000 Dynamics Steps Current Time 19830.0000 Picosecond Current Potential -112046.4262 Kcal/mole Current Kinetic 18849.8449 Kcal/mole Lattice Lengths 69.814964 69.814964 69.814964 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1983 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9920000 Dynamics Steps Current Time 19840.0000 Picosecond Current Potential -112226.0982 Kcal/mole Current Kinetic 18732.0257 Kcal/mole Lattice Lengths 69.837700 69.837700 69.837700 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1984 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9925000 Dynamics Steps Current Time 19850.0000 Picosecond Current Potential -112206.9739 Kcal/mole Current Kinetic 18663.2920 Kcal/mole Lattice Lengths 69.778595 69.778595 69.778595 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1985 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9930000 Dynamics Steps Current Time 19860.0000 Picosecond Current Potential -112316.0697 Kcal/mole Current Kinetic 18689.6279 Kcal/mole Lattice Lengths 69.856667 69.856667 69.856667 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1986 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9935000 Dynamics Steps Current Time 19870.0000 Picosecond Current Potential -112181.1169 Kcal/mole Current 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69.723160 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1990 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9955000 Dynamics Steps Current Time 19910.0000 Picosecond Current Potential -112438.3039 Kcal/mole Current Kinetic 18810.3762 Kcal/mole Lattice Lengths 69.726433 69.726433 69.726433 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1991 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9960000 Dynamics Steps Current Time 19920.0000 Picosecond Current Potential -112206.8170 Kcal/mole Current Kinetic 18606.4173 Kcal/mole Lattice Lengths 69.665001 69.665001 69.665001 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1992 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9965000 Dynamics Steps Current Time 19930.0000 Picosecond Current Potential -111964.5629 Kcal/mole Current Kinetic 18644.8954 Kcal/mole Lattice Lengths 69.713882 69.713882 69.713882 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1993 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9970000 Dynamics Steps Current Time 19940.0000 Picosecond Current Potential -112118.6670 Kcal/mole Current Kinetic 18659.9426 Kcal/mole Lattice Lengths 69.710876 69.710876 69.710876 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1994 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9975000 Dynamics Steps Current Time 19950.0000 Picosecond Current Potential -112331.7124 Kcal/mole Current Kinetic 18813.9058 Kcal/mole Lattice Lengths 69.706299 69.706299 69.706299 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1995 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9980000 Dynamics Steps Current Time 19960.0000 Picosecond Current Potential -112440.7674 Kcal/mole Current Kinetic 18744.5961 Kcal/mole Lattice Lengths 69.754166 69.754166 69.754166 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1996 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9985000 Dynamics Steps Current Time 19970.0000 Picosecond Current Potential -112287.1627 Kcal/mole Current Kinetic 18751.3173 Kcal/mole Lattice Lengths 69.768913 69.768913 69.768913 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1997 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9990000 Dynamics Steps Current Time 19980.0000 Picosecond Current Potential -112130.2931 Kcal/mole Current Kinetic 18922.6176 Kcal/mole Lattice Lengths 69.808029 69.808029 69.808029 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1998 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 9995000 Dynamics Steps Current Time 19990.0000 Picosecond Current Potential -112220.8606 Kcal/mole Current Kinetic 18655.9348 Kcal/mole Lattice Lengths 69.834305 69.834305 69.834305 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1999 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 10000000 Dynamics Steps Current Time 20000.0000 Picosecond Current Potential -112276.2050 Kcal/mole Current Kinetic 18754.3633 Kcal/mole Lattice Lengths 69.756973 69.756973 69.756973 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 2000 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 10005000 Dynamics Steps Current Time 20010.0000 Picosecond Current Potential -111886.8751 Kcal/mole Current Kinetic 18832.8086 Kcal/mole Lattice Lengths 69.789391 69.789391 69.789391 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 2001 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 10010000 Dynamics Steps Current Time 20020.0000 Picosecond Current Potential -112341.5531 Kcal/mole Current Kinetic 18704.2811 Kcal/mole Lattice Lengths 69.834305 69.834305 69.834305 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 2002 Coordinate File Folded.arc Instantaneous Values for Frame Saved at 10015000 Dynamics Steps Current Time 20030.0000 Picosecond Current Potential -112560.5881 Kcal/mole Current 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