| 6:34:26 AM PST - Fri, Jan 5th 2018 |
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If you are using version 6.6, make sure your restart file (*.qmdrst) from the NVT run is in the directory, change the thermostat keyword to thermostat none, and change the nstep_nucl keyword to the total number of steps (NVT steps + NVE steps) you want. If you prefer to reset the step counter for the NVE trajectory, just change the first number on the second line of the restart file to 0, then nstep_nucl can be set to the number of steps in the NVE trajectory.
If you are using version 6.8, you can just copy and paste the coordinates and velocities from the restart file into your new input file as version 6.8 will read velocities from the input file.
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