###################################################################### ########################################################################## ### ### ### 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 CUDA-DEVICE Warning, Program recommended Device 0 but Device 1 was set from CUDA-DEVICE keyword 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 11283 Number of Other Constraints 0 Number of Constraints in Total 33999 Number of Atom Groups 11437 Bussi Thermostat Temperature 305.0 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 : 244403043 Instantaneous Values for Frame Saved at 5000 Dynamics Steps Current Time 10.0000 Picosecond Current Potential -107803.9727 Kcal/mole Current Kinetic 20568.2187 Kcal/mole Lattice Lengths 70.050056 70.050056 70.050056 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 10000 Dynamics Steps Current Time 20.0000 Picosecond Current Potential -107528.4377 Kcal/mole Current Kinetic 20990.1351 Kcal/mole Lattice Lengths 70.160233 70.160233 70.160233 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 2 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 15000 Dynamics Steps Current Time 30.0000 Picosecond Current Potential -107185.4830 Kcal/mole Current Kinetic 20866.9177 Kcal/mole Lattice Lengths 70.213074 70.213074 70.213074 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 3 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 20000 Dynamics Steps Current Time 40.0000 Picosecond Current Potential -107476.0873 Kcal/mole Current Kinetic 20755.8451 Kcal/mole Lattice Lengths 70.289726 70.289726 70.289726 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 4 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 25000 Dynamics Steps Current Time 50.0000 Picosecond Current Potential -107317.6186 Kcal/mole Current Kinetic 20787.7487 Kcal/mole Lattice Lengths 70.272461 70.272461 70.272461 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 5 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 30000 Dynamics Steps Current Time 60.0000 Picosecond Current Potential -107244.0706 Kcal/mole Current Kinetic 20432.9378 Kcal/mole Lattice Lengths 70.340965 70.340965 70.340965 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 6 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 35000 Dynamics Steps Current Time 70.0000 Picosecond Current Potential -107530.1671 Kcal/mole Current Kinetic 20627.0074 Kcal/mole Lattice Lengths 70.346382 70.346382 70.346382 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 7 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 40000 Dynamics Steps Current Time 80.0000 Picosecond Current Potential -107336.2266 Kcal/mole Current Kinetic 20760.4228 Kcal/mole Lattice Lengths 70.343231 70.343231 70.343231 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 8 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 45000 Dynamics Steps Current Time 90.0000 Picosecond Current Potential -107253.7918 Kcal/mole Current Kinetic 20745.6957 Kcal/mole Lattice Lengths 70.367043 70.367043 70.367043 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 9 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 50000 Dynamics Steps Current Time 100.0000 Picosecond Current Potential -107483.4877 Kcal/mole Current Kinetic 20821.0376 Kcal/mole Lattice Lengths 70.442291 70.442291 70.442291 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 10 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 55000 Dynamics Steps Current Time 110.0000 Picosecond Current Potential -107548.5914 Kcal/mole Current Kinetic 20861.6412 Kcal/mole Lattice Lengths 70.356834 70.356834 70.356834 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 11 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 60000 Dynamics Steps Current Time 120.0000 Picosecond Current Potential -107558.9755 Kcal/mole Current Kinetic 20607.1664 Kcal/mole Lattice Lengths 70.277069 70.277069 70.277069 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 12 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 65000 Dynamics Steps Current Time 130.0000 Picosecond Current Potential -107429.9748 Kcal/mole Current Kinetic 20768.0326 Kcal/mole Lattice Lengths 70.306442 70.306442 70.306442 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 13 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 70000 Dynamics Steps Current Time 140.0000 Picosecond Current Potential -107572.8979 Kcal/mole Current Kinetic 20693.7831 Kcal/mole Lattice Lengths 70.336227 70.336227 70.336227 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 14 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 75000 Dynamics Steps Current Time 150.0000 Picosecond Current Potential -107229.6141 Kcal/mole Current Kinetic 20933.0807 Kcal/mole Lattice Lengths 70.373863 70.373863 70.373863 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 15 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 80000 Dynamics Steps Current Time 160.0000 Picosecond Current Potential -107208.4830 Kcal/mole Current Kinetic 20829.6238 Kcal/mole Lattice Lengths 70.343788 70.343788 70.343788 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 16 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 85000 Dynamics Steps Current Time 170.0000 Picosecond Current Potential -107568.7581 Kcal/mole Current Kinetic 20697.8016 Kcal/mole Lattice Lengths 70.298447 70.298447 70.298447 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 17 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 90000 Dynamics Steps Current Time 180.0000 Picosecond Current Potential -107600.7574 Kcal/mole Current Kinetic 20846.6374 Kcal/mole Lattice Lengths 70.386505 70.386505 70.386505 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 18 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 95000 Dynamics Steps Current Time 190.0000 Picosecond Current Potential -107175.4933 Kcal/mole Current Kinetic 20859.0584 Kcal/mole Lattice Lengths 70.431557 70.431557 70.431557 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 19 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 100000 Dynamics Steps Current Time 200.0000 Picosecond Current Potential -107488.9824 Kcal/mole Current Kinetic 20891.5501 Kcal/mole Lattice Lengths 70.381798 70.381798 70.381798 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 20 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 105000 Dynamics Steps Current Time 210.0000 Picosecond Current Potential -107176.3630 Kcal/mole Current Kinetic 20786.9997 Kcal/mole Lattice Lengths 70.436020 70.436020 70.436020 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 21 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 110000 Dynamics Steps Current Time 220.0000 Picosecond Current Potential -106958.8195 Kcal/mole Current Kinetic 20777.4563 Kcal/mole Lattice Lengths 70.453720 70.453720 70.453720 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 22 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 115000 Dynamics Steps Current Time 230.0000 Picosecond Current Potential -107329.6147 Kcal/mole Current Kinetic 20831.2157 Kcal/mole Lattice Lengths 70.404358 70.404358 70.404358 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 23 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 120000 Dynamics Steps Current Time 240.0000 Picosecond Current Potential -107205.6172 Kcal/mole Current Kinetic 20770.8543 Kcal/mole Lattice Lengths 70.334328 70.334328 70.334328 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 24 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 125000 Dynamics Steps Current Time 250.0000 Picosecond Current Potential -107639.5724 Kcal/mole Current Kinetic 20905.4382 Kcal/mole Lattice Lengths 70.264458 70.264458 70.264458 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 25 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 130000 Dynamics Steps Current Time 260.0000 Picosecond Current Potential -107576.5866 Kcal/mole Current Kinetic 20422.6673 Kcal/mole Lattice Lengths 70.291504 70.291504 70.291504 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 26 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 135000 Dynamics Steps Current Time 270.0000 Picosecond Current Potential -107644.7064 Kcal/mole Current Kinetic 20686.9541 Kcal/mole Lattice Lengths 70.271034 70.271034 70.271034 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 27 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 140000 Dynamics Steps Current Time 280.0000 Picosecond Current Potential -107343.4336 Kcal/mole Current Kinetic 20637.5116 Kcal/mole Lattice Lengths 70.335381 70.335381 70.335381 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 28 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 145000 Dynamics Steps Current Time 290.0000 Picosecond Current Potential -107441.6655 Kcal/mole Current Kinetic 20766.1149 Kcal/mole Lattice Lengths 70.401535 70.401535 70.401535 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 29 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 150000 Dynamics Steps Current Time 300.0000 Picosecond Current Potential -107785.4898 Kcal/mole Current Kinetic 20773.1935 Kcal/mole Lattice Lengths 70.344833 70.344833 70.344833 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 30 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 155000 Dynamics Steps Current Time 310.0000 Picosecond Current Potential -107390.2034 Kcal/mole Current Kinetic 20826.5349 Kcal/mole Lattice Lengths 70.361771 70.361771 70.361771 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 31 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 160000 Dynamics Steps Current Time 320.0000 Picosecond Current Potential -107414.5412 Kcal/mole Current Kinetic 20778.0676 Kcal/mole Lattice Lengths 70.382294 70.382294 70.382294 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 32 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 165000 Dynamics Steps Current Time 330.0000 Picosecond Current Potential -107417.3285 Kcal/mole Current Kinetic 20762.5245 Kcal/mole Lattice Lengths 70.288399 70.288399 70.288399 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 33 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 170000 Dynamics Steps Current Time 340.0000 Picosecond Current Potential -107422.9172 Kcal/mole Current Kinetic 20580.0455 Kcal/mole Lattice Lengths 70.198860 70.198860 70.198860 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 34 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 175000 Dynamics Steps Current Time 350.0000 Picosecond Current Potential -107457.1057 Kcal/mole Current Kinetic 20813.9805 Kcal/mole Lattice Lengths 70.202332 70.202332 70.202332 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 35 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 180000 Dynamics Steps Current Time 360.0000 Picosecond Current Potential -107384.5479 Kcal/mole Current Kinetic 20758.7274 Kcal/mole Lattice Lengths 70.218903 70.218903 70.218903 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 36 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 185000 Dynamics Steps Current Time 370.0000 Picosecond Current Potential -107287.4082 Kcal/mole Current Kinetic 20826.6261 Kcal/mole Lattice Lengths 70.207588 70.207588 70.207588 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 37 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 190000 Dynamics Steps Current Time 380.0000 Picosecond Current Potential -107411.8186 Kcal/mole Current Kinetic 20830.7846 Kcal/mole Lattice Lengths 70.225243 70.225243 70.225243 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 38 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 195000 Dynamics Steps Current Time 390.0000 Picosecond Current Potential -107404.4567 Kcal/mole Current Kinetic 20572.7373 Kcal/mole Lattice Lengths 70.249908 70.249908 70.249908 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 39 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 200000 Dynamics Steps Current Time 400.0000 Picosecond Current Potential -107195.8415 Kcal/mole Current Kinetic 20658.5548 Kcal/mole Lattice Lengths 70.259193 70.259193 70.259193 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 40 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 205000 Dynamics Steps Current Time 410.0000 Picosecond Current Potential -107490.7685 Kcal/mole Current Kinetic 20811.2732 Kcal/mole Lattice Lengths 70.257790 70.257790 70.257790 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 41 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 210000 Dynamics Steps Current Time 420.0000 Picosecond Current Potential -107651.3064 Kcal/mole Current Kinetic 20734.0559 Kcal/mole Lattice Lengths 70.262802 70.262802 70.262802 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 42 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 215000 Dynamics Steps Current Time 430.0000 Picosecond Current Potential -107473.1918 Kcal/mole Current Kinetic 20544.0141 Kcal/mole Lattice Lengths 70.265434 70.265434 70.265434 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 43 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 220000 Dynamics Steps Current Time 440.0000 Picosecond Current Potential -107409.7996 Kcal/mole Current Kinetic 20805.2034 Kcal/mole Lattice Lengths 70.270615 70.270615 70.270615 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 44 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 225000 Dynamics Steps Current Time 450.0000 Picosecond Current Potential -107771.9861 Kcal/mole Current Kinetic 20628.7128 Kcal/mole Lattice Lengths 70.261124 70.261124 70.261124 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 45 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 230000 Dynamics Steps Current Time 460.0000 Picosecond Current Potential -107384.0708 Kcal/mole Current Kinetic 20691.5716 Kcal/mole Lattice Lengths 70.274811 70.274811 70.274811 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 46 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 235000 Dynamics Steps Current Time 470.0000 Picosecond Current Potential -107546.7949 Kcal/mole Current Kinetic 20804.9673 Kcal/mole Lattice Lengths 70.268921 70.268921 70.268921 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 47 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 240000 Dynamics Steps Current Time 480.0000 Picosecond Current Potential -107626.6735 Kcal/mole Current Kinetic 20537.1255 Kcal/mole Lattice Lengths 70.253799 70.253799 70.253799 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 48 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 245000 Dynamics Steps Current Time 490.0000 Picosecond Current Potential -107407.1530 Kcal/mole Current Kinetic 20672.3501 Kcal/mole Lattice Lengths 70.321968 70.321968 70.321968 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 49 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 250000 Dynamics Steps Current Time 500.0000 Picosecond Current Potential -107542.6167 Kcal/mole Current Kinetic 20581.6622 Kcal/mole Lattice Lengths 70.257477 70.257477 70.257477 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 50 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 255000 Dynamics Steps Current Time 510.0000 Picosecond Current Potential -107591.9217 Kcal/mole Current Kinetic 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Lattice Angles 90.000000 90.000000 90.000000 Frame Number 54 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 275000 Dynamics Steps Current Time 550.0000 Picosecond Current Potential -107407.7730 Kcal/mole Current Kinetic 20711.2819 Kcal/mole Lattice Lengths 70.394882 70.394882 70.394882 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 55 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 280000 Dynamics Steps Current Time 560.0000 Picosecond Current Potential -107182.6021 Kcal/mole Current Kinetic 20893.1077 Kcal/mole Lattice Lengths 70.378418 70.378418 70.378418 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 56 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 285000 Dynamics Steps Current Time 570.0000 Picosecond Current Potential -107356.8595 Kcal/mole Current Kinetic 20817.5059 Kcal/mole Lattice Lengths 70.359177 70.359177 70.359177 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 57 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 290000 Dynamics Steps Current Time 580.0000 Picosecond Current Potential -107370.0850 Kcal/mole Current Kinetic 20630.8865 Kcal/mole Lattice Lengths 70.285210 70.285210 70.285210 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 58 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 295000 Dynamics Steps Current Time 590.0000 Picosecond Current Potential -107414.5848 Kcal/mole Current Kinetic 20705.3263 Kcal/mole Lattice Lengths 70.298820 70.298820 70.298820 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 59 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 300000 Dynamics Steps Current Time 600.0000 Picosecond Current Potential -107501.9561 Kcal/mole Current Kinetic 20782.3354 Kcal/mole Lattice Lengths 70.355461 70.355461 70.355461 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 60 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 305000 Dynamics Steps Current Time 610.0000 Picosecond Current Potential -107354.8550 Kcal/mole Current Kinetic 20618.7506 Kcal/mole Lattice Lengths 70.334236 70.334236 70.334236 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 61 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 310000 Dynamics Steps Current Time 620.0000 Picosecond Current Potential -107690.8394 Kcal/mole Current Kinetic 20831.1831 Kcal/mole Lattice Lengths 70.324409 70.324409 70.324409 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 62 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 315000 Dynamics Steps Current Time 630.0000 Picosecond Current Potential -107496.7588 Kcal/mole Current Kinetic 20683.7008 Kcal/mole Lattice Lengths 70.275620 70.275620 70.275620 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 63 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 320000 Dynamics Steps Current Time 640.0000 Picosecond Current Potential -107750.1403 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70.323196 70.323196 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 67 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 340000 Dynamics Steps Current Time 680.0000 Picosecond Current Potential -107557.9719 Kcal/mole Current Kinetic 20772.1482 Kcal/mole Lattice Lengths 70.289879 70.289879 70.289879 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 68 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 345000 Dynamics Steps Current Time 690.0000 Picosecond Current Potential -107425.6922 Kcal/mole Current Kinetic 20912.2882 Kcal/mole Lattice Lengths 70.313126 70.313126 70.313126 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 69 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 350000 Dynamics Steps Current Time 700.0000 Picosecond Current Potential -107487.4802 Kcal/mole Current Kinetic 20782.8407 Kcal/mole Lattice Lengths 70.332939 70.332939 70.332939 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 70 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 355000 Dynamics Steps Current Time 710.0000 Picosecond Current Potential -107241.4557 Kcal/mole Current Kinetic 20629.1895 Kcal/mole Lattice Lengths 70.383698 70.383698 70.383698 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 71 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 360000 Dynamics Steps Current Time 720.0000 Picosecond Current Potential -107481.6040 Kcal/mole Current Kinetic 20754.6863 Kcal/mole Lattice Lengths 70.388969 70.388969 70.388969 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 72 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 365000 Dynamics Steps Current Time 730.0000 Picosecond Current Potential -107385.9708 Kcal/mole Current Kinetic 20648.2627 Kcal/mole Lattice Lengths 70.379120 70.379120 70.379120 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 73 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 370000 Dynamics Steps Current Time 740.0000 Picosecond Current Potential -107339.5637 Kcal/mole Current Kinetic 20886.3339 Kcal/mole Lattice Lengths 70.323471 70.323471 70.323471 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 74 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 375000 Dynamics Steps Current Time 750.0000 Picosecond Current Potential -107017.1055 Kcal/mole Current Kinetic 20845.8907 Kcal/mole Lattice Lengths 70.380714 70.380714 70.380714 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 75 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 380000 Dynamics Steps Current Time 760.0000 Picosecond Current Potential -107298.3994 Kcal/mole Current Kinetic 20726.7745 Kcal/mole Lattice Lengths 70.329758 70.329758 70.329758 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 76 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 385000 Dynamics Steps Current Time 770.0000 Picosecond Current Potential -107485.8803 Kcal/mole Current Kinetic 20791.5685 Kcal/mole Lattice Lengths 70.263702 70.263702 70.263702 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 77 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 390000 Dynamics Steps Current Time 780.0000 Picosecond Current Potential -107413.1948 Kcal/mole Current Kinetic 20873.7980 Kcal/mole Lattice Lengths 70.258400 70.258400 70.258400 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 78 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 395000 Dynamics Steps Current Time 790.0000 Picosecond Current Potential -107490.5189 Kcal/mole Current Kinetic 20939.4745 Kcal/mole Lattice Lengths 70.273903 70.273903 70.273903 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 79 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 400000 Dynamics Steps Current Time 800.0000 Picosecond Current Potential -107622.0711 Kcal/mole Current Kinetic 20761.0269 Kcal/mole Lattice Lengths 70.262764 70.262764 70.262764 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 80 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 405000 Dynamics Steps Current Time 810.0000 Picosecond Current Potential -107269.5857 Kcal/mole Current Kinetic 20866.4269 Kcal/mole Lattice Lengths 70.356819 70.356819 70.356819 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 81 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 410000 Dynamics Steps Current Time 820.0000 Picosecond Current Potential -107492.4359 Kcal/mole Current Kinetic 20724.3481 Kcal/mole Lattice Lengths 70.310493 70.310493 70.310493 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 82 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 415000 Dynamics Steps Current Time 830.0000 Picosecond Current Potential -107448.9704 Kcal/mole Current Kinetic 20697.1049 Kcal/mole Lattice Lengths 70.293053 70.293053 70.293053 Lattice Angles 90.000000 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File unfolded.arc Instantaneous Values for Frame Saved at 9475000 Dynamics Steps Current Time 18950.0000 Picosecond Current Potential -107578.2546 Kcal/mole Current Kinetic 20847.0629 Kcal/mole Lattice Lengths 70.279457 70.279457 70.279457 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1895 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9480000 Dynamics Steps Current Time 18960.0000 Picosecond Current Potential -107580.9497 Kcal/mole Current Kinetic 20737.3079 Kcal/mole Lattice Lengths 70.312897 70.312897 70.312897 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1896 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9485000 Dynamics Steps Current Time 18970.0000 Picosecond Current Potential -107517.0764 Kcal/mole Current Kinetic 20820.9564 Kcal/mole Lattice Lengths 70.316216 70.316216 70.316216 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1897 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9490000 Dynamics Steps Current Time 18980.0000 Picosecond Current Potential -107537.7264 Kcal/mole Current Kinetic 21039.9037 Kcal/mole Lattice Lengths 70.366440 70.366440 70.366440 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1898 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9495000 Dynamics Steps Current Time 18990.0000 Picosecond Current Potential -107591.9545 Kcal/mole Current Kinetic 20902.8090 Kcal/mole Lattice Lengths 70.263588 70.263588 70.263588 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1899 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9500000 Dynamics Steps Current Time 19000.0000 Picosecond Current Potential -107443.1169 Kcal/mole Current Kinetic 21134.5354 Kcal/mole Lattice Lengths 70.330795 70.330795 70.330795 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1900 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9505000 Dynamics Steps Current Time 19010.0000 Picosecond 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70.385185 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1907 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9540000 Dynamics Steps Current Time 19080.0000 Picosecond Current Potential -107544.3495 Kcal/mole Current Kinetic 20819.7227 Kcal/mole Lattice Lengths 70.393585 70.393585 70.393585 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1908 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9545000 Dynamics Steps Current Time 19090.0000 Picosecond Current Potential -107363.6894 Kcal/mole Current Kinetic 20779.0054 Kcal/mole Lattice Lengths 70.365326 70.365326 70.365326 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1909 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9550000 Dynamics Steps Current Time 19100.0000 Picosecond Current Potential -107190.3020 Kcal/mole Current Kinetic 20445.7575 Kcal/mole Lattice Lengths 70.368027 70.368027 70.368027 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1910 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9555000 Dynamics Steps Current Time 19110.0000 Picosecond Current Potential -107376.6866 Kcal/mole Current Kinetic 20882.8775 Kcal/mole Lattice Lengths 70.325165 70.325165 70.325165 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1911 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9560000 Dynamics Steps Current Time 19120.0000 Picosecond Current Potential -107526.5384 Kcal/mole Current Kinetic 20808.1055 Kcal/mole Lattice Lengths 70.285187 70.285187 70.285187 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1912 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9565000 Dynamics Steps Current Time 19130.0000 Picosecond Current Potential -107391.4522 Kcal/mole Current Kinetic 20811.2964 Kcal/mole Lattice Lengths 70.259048 70.259048 70.259048 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1913 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9570000 Dynamics Steps Current Time 19140.0000 Picosecond Current Potential -107437.4051 Kcal/mole Current Kinetic 20719.8242 Kcal/mole Lattice Lengths 70.308662 70.308662 70.308662 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1914 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9575000 Dynamics Steps Current Time 19150.0000 Picosecond Current Potential -107584.2706 Kcal/mole Current Kinetic 20785.6099 Kcal/mole Lattice Lengths 70.325897 70.325897 70.325897 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1915 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9580000 Dynamics Steps Current Time 19160.0000 Picosecond Current Potential -107272.8697 Kcal/mole Current Kinetic 21038.7284 Kcal/mole Lattice Lengths 70.307236 70.307236 70.307236 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1916 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9585000 Dynamics Steps Current Time 19170.0000 Picosecond Current Potential -107306.0338 Kcal/mole Current Kinetic 20991.3894 Kcal/mole Lattice Lengths 70.258194 70.258194 70.258194 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1917 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9590000 Dynamics Steps Current Time 19180.0000 Picosecond Current Potential -107521.1183 Kcal/mole Current Kinetic 20863.0186 Kcal/mole Lattice Lengths 70.298904 70.298904 70.298904 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1918 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9595000 Dynamics Steps Current Time 19190.0000 Picosecond Current Potential -107345.5977 Kcal/mole Current Kinetic 20680.7458 Kcal/mole Lattice Lengths 70.304802 70.304802 70.304802 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1919 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9600000 Dynamics Steps Current Time 19200.0000 Picosecond Current Potential 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Kcal/mole Lattice Lengths 70.272118 70.272118 70.272118 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1923 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9620000 Dynamics Steps Current Time 19240.0000 Picosecond Current Potential -107418.6236 Kcal/mole Current Kinetic 20486.1714 Kcal/mole Lattice Lengths 70.227448 70.227448 70.227448 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1924 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9625000 Dynamics Steps Current Time 19250.0000 Picosecond Current Potential -107483.2776 Kcal/mole Current Kinetic 20772.3727 Kcal/mole Lattice Lengths 70.220703 70.220703 70.220703 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1925 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9630000 Dynamics Steps Current Time 19260.0000 Picosecond Current Potential -107273.9127 Kcal/mole Current Kinetic 20629.2613 Kcal/mole Lattice Lengths 70.275650 70.275650 70.275650 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1926 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9635000 Dynamics Steps Current Time 19270.0000 Picosecond Current Potential -107541.3020 Kcal/mole Current Kinetic 20685.5252 Kcal/mole Lattice Lengths 70.300522 70.300522 70.300522 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1927 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9640000 Dynamics Steps Current Time 19280.0000 Picosecond Current Potential -107590.9351 Kcal/mole Current Kinetic 20695.6109 Kcal/mole Lattice Lengths 70.235489 70.235489 70.235489 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1928 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9645000 Dynamics Steps Current Time 19290.0000 Picosecond Current Potential -107375.5612 Kcal/mole Current Kinetic 20692.8155 Kcal/mole Lattice Lengths 70.193527 70.193527 70.193527 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1929 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9650000 Dynamics Steps Current Time 19300.0000 Picosecond Current Potential -107691.8704 Kcal/mole Current Kinetic 20794.5849 Kcal/mole Lattice Lengths 70.142899 70.142899 70.142899 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1930 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9655000 Dynamics Steps Current Time 19310.0000 Picosecond Current Potential -107557.5353 Kcal/mole Current Kinetic 20764.3000 Kcal/mole Lattice Lengths 70.289375 70.289375 70.289375 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1931 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9660000 Dynamics Steps Current Time 19320.0000 Picosecond Current Potential -107660.7064 Kcal/mole Current Kinetic 20749.3142 Kcal/mole Lattice Lengths 70.312622 70.312622 70.312622 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1932 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9665000 Dynamics Steps Current Time 19330.0000 Picosecond Current Potential -107357.6588 Kcal/mole Current Kinetic 20903.5973 Kcal/mole Lattice Lengths 70.222878 70.222878 70.222878 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1933 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9670000 Dynamics Steps Current Time 19340.0000 Picosecond Current Potential -107361.7482 Kcal/mole Current Kinetic 20655.4112 Kcal/mole Lattice Lengths 70.256653 70.256653 70.256653 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1934 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9675000 Dynamics Steps Current Time 19350.0000 Picosecond Current Potential -107757.9619 Kcal/mole Current Kinetic 20810.5140 Kcal/mole Lattice Lengths 70.296471 70.296471 70.296471 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1935 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9680000 Dynamics Steps Current Time 19360.0000 Picosecond Current Potential -107217.7581 Kcal/mole Current Kinetic 20666.2730 Kcal/mole Lattice Lengths 70.251144 70.251144 70.251144 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1936 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9685000 Dynamics Steps Current Time 19370.0000 Picosecond Current Potential -107523.5373 Kcal/mole Current Kinetic 20813.4150 Kcal/mole Lattice Lengths 70.324753 70.324753 70.324753 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1937 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9690000 Dynamics Steps Current Time 19380.0000 Picosecond Current Potential -107639.7023 Kcal/mole Current Kinetic 20696.9824 Kcal/mole Lattice Lengths 70.329208 70.329208 70.329208 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1938 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9695000 Dynamics Steps Current Time 19390.0000 Picosecond Current Potential -107481.2302 Kcal/mole Current Kinetic 20569.3207 Kcal/mole Lattice Lengths 70.343872 70.343872 70.343872 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1939 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9700000 Dynamics Steps Current Time 19400.0000 Picosecond Current Potential -107515.6928 Kcal/mole Current Kinetic 20929.5872 Kcal/mole Lattice Lengths 70.350876 70.350876 70.350876 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1940 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9705000 Dynamics Steps Current Time 19410.0000 Picosecond Current Potential -107332.3704 Kcal/mole Current Kinetic 20775.1400 Kcal/mole Lattice Lengths 70.359215 70.359215 70.359215 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1941 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9710000 Dynamics Steps Current Time 19420.0000 Picosecond Current Potential -107125.7329 Kcal/mole Current Kinetic 20899.4798 Kcal/mole Lattice 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90.000000 90.000000 90.000000 Frame Number 1945 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9730000 Dynamics Steps Current Time 19460.0000 Picosecond Current Potential -107416.8197 Kcal/mole Current Kinetic 20577.6807 Kcal/mole Lattice Lengths 70.275032 70.275032 70.275032 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1946 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9735000 Dynamics Steps Current Time 19470.0000 Picosecond Current Potential -107228.3886 Kcal/mole Current Kinetic 20885.6894 Kcal/mole Lattice Lengths 70.289719 70.289719 70.289719 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1947 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9740000 Dynamics Steps Current Time 19480.0000 Picosecond Current Potential -107297.2010 Kcal/mole Current Kinetic 21032.1831 Kcal/mole Lattice Lengths 70.340439 70.340439 70.340439 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1948 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9745000 Dynamics Steps Current Time 19490.0000 Picosecond Current Potential -107347.8455 Kcal/mole Current Kinetic 20661.6167 Kcal/mole Lattice Lengths 70.289482 70.289482 70.289482 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1949 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9750000 Dynamics Steps Current Time 19500.0000 Picosecond Current Potential -107482.5096 Kcal/mole Current Kinetic 20893.3046 Kcal/mole Lattice Lengths 70.311951 70.311951 70.311951 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1950 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9755000 Dynamics Steps Current Time 19510.0000 Picosecond Current Potential -107440.8636 Kcal/mole Current Kinetic 20869.4834 Kcal/mole Lattice Lengths 70.331200 70.331200 70.331200 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1951 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9760000 Dynamics Steps Current Time 19520.0000 Picosecond Current Potential -107523.9299 Kcal/mole Current Kinetic 20617.9535 Kcal/mole Lattice Lengths 70.341339 70.341339 70.341339 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1952 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9765000 Dynamics Steps Current Time 19530.0000 Picosecond Current Potential -107486.9381 Kcal/mole Current Kinetic 20454.2187 Kcal/mole Lattice Lengths 70.293465 70.293465 70.293465 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1953 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9770000 Dynamics Steps Current Time 19540.0000 Picosecond Current Potential -107071.6981 Kcal/mole Current Kinetic 20603.9095 Kcal/mole Lattice Lengths 70.383507 70.383507 70.383507 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1954 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9775000 Dynamics Steps Current Time 19550.0000 Picosecond Current Potential -107231.0490 Kcal/mole Current Kinetic 20788.1764 Kcal/mole Lattice Lengths 70.394730 70.394730 70.394730 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1955 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9780000 Dynamics Steps Current Time 19560.0000 Picosecond Current Potential -107478.4753 Kcal/mole Current Kinetic 20762.9518 Kcal/mole Lattice Lengths 70.333282 70.333282 70.333282 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1956 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9785000 Dynamics Steps Current Time 19570.0000 Picosecond Current Potential -107318.3556 Kcal/mole Current Kinetic 20632.0289 Kcal/mole Lattice Lengths 70.344566 70.344566 70.344566 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1957 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9790000 Dynamics Steps Current Time 19580.0000 Picosecond Current Potential -107356.3130 Kcal/mole Current Kinetic 20848.9594 Kcal/mole Lattice Lengths 70.361633 70.361633 70.361633 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1958 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9795000 Dynamics Steps Current Time 19590.0000 Picosecond Current Potential -107454.9493 Kcal/mole Current Kinetic 20686.1358 Kcal/mole Lattice Lengths 70.334587 70.334587 70.334587 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1959 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9800000 Dynamics Steps Current Time 19600.0000 Picosecond Current Potential -107603.3498 Kcal/mole Current Kinetic 20524.4532 Kcal/mole Lattice Lengths 70.239044 70.239044 70.239044 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1960 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9805000 Dynamics Steps Current Time 19610.0000 Picosecond Current Potential -107664.7611 Kcal/mole Current Kinetic 20794.1109 Kcal/mole Lattice Lengths 70.249153 70.249153 70.249153 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1961 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9810000 Dynamics Steps Current Time 19620.0000 Picosecond Current Potential -107441.1863 Kcal/mole Current Kinetic 21080.0790 Kcal/mole Lattice Lengths 70.346954 70.346954 70.346954 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1962 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9815000 Dynamics Steps Current Time 19630.0000 Picosecond Current Potential -107750.0723 Kcal/mole Current Kinetic 20771.3479 Kcal/mole Lattice Lengths 70.270470 70.270470 70.270470 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1963 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9820000 Dynamics Steps Current Time 19640.0000 Picosecond Current Potential -107728.5297 Kcal/mole Current Kinetic 21032.5802 Kcal/mole Lattice Lengths 70.268356 70.268356 70.268356 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1964 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9825000 Dynamics Steps Current Time 19650.0000 Picosecond Current Potential -107337.8350 Kcal/mole Current Kinetic 20761.4985 Kcal/mole Lattice Lengths 70.321556 70.321556 70.321556 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1965 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9830000 Dynamics Steps Current Time 19660.0000 Picosecond Current Potential -107257.5229 Kcal/mole Current Kinetic 20707.2241 Kcal/mole Lattice Lengths 70.272163 70.272163 70.272163 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1966 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9835000 Dynamics Steps Current Time 19670.0000 Picosecond Current Potential -107472.5660 Kcal/mole Current Kinetic 20818.3910 Kcal/mole Lattice Lengths 70.303513 70.303513 70.303513 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1967 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9840000 Dynamics Steps Current Time 19680.0000 Picosecond Current Potential -107189.3344 Kcal/mole Current Kinetic 20649.5235 Kcal/mole Lattice Lengths 70.329559 70.329559 70.329559 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1968 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9845000 Dynamics Steps Current Time 19690.0000 Picosecond Current Potential -107367.3551 Kcal/mole Current Kinetic 20805.6581 Kcal/mole Lattice Lengths 70.281334 70.281334 70.281334 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1969 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9850000 Dynamics Steps Current Time 19700.0000 Picosecond Current Potential -107648.1795 Kcal/mole Current Kinetic 20808.3256 Kcal/mole Lattice Lengths 70.344467 70.344467 70.344467 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1970 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9855000 Dynamics Steps Current Time 19710.0000 Picosecond Current Potential -107280.7416 Kcal/mole Current Kinetic 20686.4767 Kcal/mole Lattice Lengths 70.303436 70.303436 70.303436 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1971 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9860000 Dynamics Steps Current Time 19720.0000 Picosecond Current Potential -107589.5779 Kcal/mole Current Kinetic 20702.0465 Kcal/mole Lattice Lengths 70.205940 70.205940 70.205940 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1972 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9865000 Dynamics Steps Current Time 19730.0000 Picosecond Current Potential -107564.1909 Kcal/mole Current Kinetic 20683.0096 Kcal/mole Lattice Lengths 70.344925 70.344925 70.344925 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1973 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9870000 Dynamics Steps Current Time 19740.0000 Picosecond Current Potential 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Kcal/mole Lattice Lengths 70.379196 70.379196 70.379196 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1977 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9890000 Dynamics Steps Current Time 19780.0000 Picosecond Current Potential -107483.9629 Kcal/mole Current Kinetic 20824.6594 Kcal/mole Lattice Lengths 70.370018 70.370018 70.370018 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1978 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9895000 Dynamics Steps Current Time 19790.0000 Picosecond Current Potential -107484.0657 Kcal/mole Current Kinetic 20743.2467 Kcal/mole Lattice Lengths 70.369324 70.369324 70.369324 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1979 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9900000 Dynamics Steps Current Time 19800.0000 Picosecond Current Potential -107391.1359 Kcal/mole Current Kinetic 20742.1164 Kcal/mole Lattice Lengths 70.365456 70.365456 70.365456 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1983 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9920000 Dynamics Steps Current Time 19840.0000 Picosecond Current Potential -107295.1406 Kcal/mole Current Kinetic 20577.8488 Kcal/mole Lattice Lengths 70.383720 70.383720 70.383720 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1984 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9925000 Dynamics Steps Current Time 19850.0000 Picosecond Current Potential -107521.7205 Kcal/mole Current Kinetic 20727.2990 Kcal/mole Lattice Lengths 70.353691 70.353691 70.353691 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1985 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9930000 Dynamics Steps Current Time 19860.0000 Picosecond Current Potential -107370.4754 Kcal/mole Current Kinetic 20551.9640 Kcal/mole Lattice Lengths 70.438499 70.438499 70.438499 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1986 Coordinate File unfolded.arc Instantaneous Values for 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Kcal/mole Current Kinetic 20559.4042 Kcal/mole Lattice Lengths 70.245628 70.245628 70.245628 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1993 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9970000 Dynamics Steps Current Time 19940.0000 Picosecond Current Potential -107624.4297 Kcal/mole Current Kinetic 20823.6544 Kcal/mole Lattice Lengths 70.244560 70.244560 70.244560 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1994 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9975000 Dynamics Steps Current Time 19950.0000 Picosecond Current Potential -107492.9330 Kcal/mole Current Kinetic 20770.9280 Kcal/mole Lattice Lengths 70.181084 70.181084 70.181084 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 1995 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 9980000 Dynamics Steps Current Time 19960.0000 Picosecond Current Potential -107765.6376 Kcal/mole Current Kinetic 20726.5439 Kcal/mole Lattice 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Frame Saved at 36250000 Dynamics Steps Current Time 72500.0000 Picosecond Current Potential -107278.1277 Kcal/mole Current Kinetic 20638.9332 Kcal/mole Lattice Lengths 70.272667 70.272667 70.272667 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 7250 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 36255000 Dynamics Steps Current Time 72510.0000 Picosecond Current Potential -107407.1455 Kcal/mole Current Kinetic 20736.6921 Kcal/mole Lattice Lengths 70.267120 70.267120 70.267120 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 7251 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 36260000 Dynamics Steps Current Time 72520.0000 Picosecond Current Potential -107180.1121 Kcal/mole Current Kinetic 20707.1795 Kcal/mole Lattice Lengths 70.239853 70.239853 70.239853 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 7252 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 36265000 Dynamics Steps Current Time 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Frame Saved at 44135000 Dynamics Steps Current Time 88270.0000 Picosecond Current Potential -107625.1117 Kcal/mole Current Kinetic 20613.0393 Kcal/mole Lattice Lengths 70.325417 70.325417 70.325417 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 8827 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 44140000 Dynamics Steps Current Time 88280.0000 Picosecond Current Potential -107331.0132 Kcal/mole Current Kinetic 20838.4697 Kcal/mole Lattice Lengths 70.307274 70.307274 70.307274 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 8828 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 44145000 Dynamics Steps Current Time 88290.0000 Picosecond Current Potential -107514.9279 Kcal/mole Current Kinetic 20570.7468 Kcal/mole Lattice Lengths 70.299751 70.299751 70.299751 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 8829 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 44150000 Dynamics Steps Current Time 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Kcal/mole Current Kinetic 21074.4975 Kcal/mole Lattice Lengths 70.233345 70.233345 70.233345 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 8833 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 44170000 Dynamics Steps Current Time 88340.0000 Picosecond Current Potential -107888.0929 Kcal/mole Current Kinetic 20759.8009 Kcal/mole Lattice Lengths 70.211868 70.211868 70.211868 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 8834 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 44175000 Dynamics Steps Current Time 88350.0000 Picosecond Current Potential -107307.8546 Kcal/mole Current Kinetic 20766.8411 Kcal/mole Lattice Lengths 70.277641 70.277641 70.277641 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 8835 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 44180000 Dynamics Steps Current Time 88360.0000 Picosecond Current Potential -107502.8327 Kcal/mole Current Kinetic 20809.9624 Kcal/mole Lattice 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Frame Saved at 44515000 Dynamics Steps Current Time 89030.0000 Picosecond Current Potential -107525.1768 Kcal/mole Current Kinetic 20804.9025 Kcal/mole Lattice Lengths 70.234627 70.234627 70.234627 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 8903 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 44520000 Dynamics Steps Current Time 89040.0000 Picosecond Current Potential -107610.1788 Kcal/mole Current Kinetic 20585.1706 Kcal/mole Lattice Lengths 70.213951 70.213951 70.213951 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 8904 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 44525000 Dynamics Steps Current Time 89050.0000 Picosecond Current Potential -107416.9189 Kcal/mole Current Kinetic 20866.9629 Kcal/mole Lattice Lengths 70.230827 70.230827 70.230827 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 8905 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 44530000 Dynamics Steps Current Time 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Frame Saved at 44610000 Dynamics Steps Current Time 89220.0000 Picosecond Current Potential -107744.2383 Kcal/mole Current Kinetic 20717.7973 Kcal/mole Lattice Lengths 70.272087 70.272087 70.272087 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 8922 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 44615000 Dynamics Steps Current Time 89230.0000 Picosecond Current Potential -107429.2442 Kcal/mole Current Kinetic 20600.7147 Kcal/mole Lattice Lengths 70.298111 70.298111 70.298111 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 8923 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 44620000 Dynamics Steps Current Time 89240.0000 Picosecond Current Potential -107714.1801 Kcal/mole Current Kinetic 20712.5773 Kcal/mole Lattice Lengths 70.305359 70.305359 70.305359 Lattice Angles 90.000000 90.000000 90.000000 Frame Number 8924 Coordinate File unfolded.arc Instantaneous Values for Frame Saved at 44625000 Dynamics Steps Current Time 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