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 ###            Tinker  ---  Software Tools for Molecular Design            ###
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 ##                       Version 25.6   December 2025                       ##
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 ##               Copyright (c)  Jay William Ponder  1990-2025               ##
 ###                           All Rights Reserved                          ###
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 Molecular Dynamics Trajectory via Modified Beeman Algorithm

 Average Values for the Last   100 Out of      100 Dynamics Steps

 Simulation Time              0.1000 Picosecond
 Total Energy             -1403.5444 Kcal/mole   (+/-   4.8837)
 Potential Energy         -1977.1604 Kcal/mole   (+/-  19.0591)
 Kinetic Energy             573.6159 Kcal/mole   (+/-  18.6748)
 Temperature                  297.43 Kelvin      (+/-     9.68)
 Pressure                    -811.56 Atmosphere  (+/-  2235.47)
 Density                      0.9970 Grams/cc    (+/-   0.0000)

 Average Values for the Last   100 Out of      200 Dynamics Steps

 Simulation Time              0.2000 Picosecond
 Total Energy             -1413.5814 Kcal/mole   (+/-   5.2483)
 Potential Energy         -1980.0118 Kcal/mole   (+/-  11.6403)
 Kinetic Energy             566.4304 Kcal/mole   (+/-  11.6941)
 Temperature                  293.70 Kelvin      (+/-     6.06)
 Pressure                    -280.84 Atmosphere  (+/-  1756.37)
 Density                      0.9970 Grams/cc    (+/-   0.0000)

 Average Values for the Last   100 Out of      300 Dynamics Steps

 Simulation Time              0.3000 Picosecond
 Total Energy             -1400.8195 Kcal/mole   (+/-   4.6199)
 Potential Energy         -1974.6805 Kcal/mole   (+/-  11.8114)
 Kinetic Energy             573.8610 Kcal/mole   (+/-  12.1161)
 Temperature                  297.56 Kelvin      (+/-     6.28)
 Pressure                     716.90 Atmosphere  (+/-  2034.37)
 Density                      0.9970 Grams/cc    (+/-   0.0000)

 Average Values for the Last   100 Out of      400 Dynamics Steps

 Simulation Time              0.4000 Picosecond
 Total Energy             -1389.2471 Kcal/mole   (+/-  13.1989)
 Potential Energy         -1967.5869 Kcal/mole   (+/-  20.6964)
 Kinetic Energy             578.3397 Kcal/mole   (+/-  14.4167)
 Temperature                  299.88 Kelvin      (+/-     7.48)
 Pressure                    -559.76 Atmosphere  (+/-  1586.50)
 Density                      0.9970 Grams/cc    (+/-   0.0000)

 Average Values for the Last   100 Out of      500 Dynamics Steps

 Simulation Time              0.5000 Picosecond
 Total Energy             -1367.8597 Kcal/mole   (+/-   4.0282)
 Potential Energy         -1948.1343 Kcal/mole   (+/-  11.7329)
 Kinetic Energy             580.2746 Kcal/mole   (+/-  12.0319)
 Temperature                  300.88 Kelvin      (+/-     6.24)
 Pressure                     589.33 Atmosphere  (+/-  2328.52)
 Density                      0.9970 Grams/cc    (+/-   0.0000)

 Average Values for the Last   100 Out of      600 Dynamics Steps

 Simulation Time              0.6000 Picosecond
 Total Energy             -1369.4393 Kcal/mole   (+/-   4.0180)
 Potential Energy         -1956.8732 Kcal/mole   (+/-  13.4546)
 Kinetic Energy             587.4340 Kcal/mole   (+/-  12.9996)
 Temperature                  304.59 Kelvin      (+/-     6.74)
 Pressure                     667.23 Atmosphere  (+/-  2134.81)
 Density                      0.9970 Grams/cc    (+/-   0.0000)

 Average Values for the Last   100 Out of      700 Dynamics Steps

 Simulation Time              0.7000 Picosecond
 Total Energy             -1386.6159 Kcal/mole   (+/-   7.0629)
 Potential Energy         -1972.8551 Kcal/mole   (+/-  13.1026)
 Kinetic Energy             586.2391 Kcal/mole   (+/-  14.5726)
 Temperature                  303.97 Kelvin      (+/-     7.56)
 Pressure                     758.27 Atmosphere  (+/-  1581.64)
 Density                      0.9970 Grams/cc    (+/-   0.0000)

 Average Values for the Last   100 Out of      800 Dynamics Steps

 Simulation Time              0.8000 Picosecond
 Total Energy             -1414.2280 Kcal/mole   (+/-   5.8230)
 Potential Energy         -1976.9766 Kcal/mole   (+/-  15.6790)
 Kinetic Energy             562.7486 Kcal/mole   (+/-  14.6400)
 Temperature                  291.79 Kelvin      (+/-     7.59)
 Pressure                     -77.06 Atmosphere  (+/-  1880.49)
 Density                      0.9970 Grams/cc    (+/-   0.0000)

 Average Values for the Last   100 Out of      900 Dynamics Steps

 Simulation Time              0.9000 Picosecond
 Total Energy             -1415.5805 Kcal/mole   (+/-   6.1628)
 Potential Energy         -1982.3499 Kcal/mole   (+/-  13.7832)
 Kinetic Energy             566.7694 Kcal/mole   (+/-  15.0278)
 Temperature                  293.88 Kelvin      (+/-     7.79)
 Pressure                     405.57 Atmosphere  (+/-  1950.16)
 Density                      0.9970 Grams/cc    (+/-   0.0000)

 Average Values for the Last   100 Out of     1000 Dynamics Steps

 Simulation Time              1.0000 Picosecond
 Total Energy             -1412.2003 Kcal/mole   (+/-   6.5451)
 Potential Energy         -1983.0626 Kcal/mole   (+/-  14.9476)
 Kinetic Energy             570.8623 Kcal/mole   (+/-  16.9403)
 Temperature                  296.00 Kelvin      (+/-     8.78)
 Pressure                     257.76 Atmosphere  (+/-  1867.18)
 Density                      0.9970 Grams/cc    (+/-   0.0000)