[gmx-users] sridhar at RERUNNING INTERRUPTED MD SIMULATION
sridhar at www.cdfd.org.in
Wed Apr 30 07:31:02 CEST 2003
I was trying to rerun a MD simulation which was abruptly stopped by a
power failure. It was about 800 pico seconds out of total of 2000 pico
seconds. I used the option -rerun and the trajectory file .trr from
the previous mdrun and the original md.mdp file. The program just ran till
the time(800 pico seconds) where it stopped in the initial mdrun. There
was no continuation of MD simulation from the time where it has stopped previously.
I wonder how to go about. How to continue an MD simulation stopped
Waiting for your suggesstions.
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