Hello,
I was wondering if I could run a simulation in parts. I would like to
run a simulation for 100ps say, analyze it, and then sometime later continue
on for another 100ps. It seems like all I would need to do is take the
*.gro, *.trr, and *.edr files output from the first md simulation, feed it
back in to grompp and use mdrun. I have tried this, and the output from the
run seems okay, but I am not completely sure. The output of grompp says;
Velocities generated: ignoring velocities from input trajectory. Will this
cause a disjoint between the two simulations? Is there a way that I can have
the velocities from the end of the first md simulation, input into the
second? Also, I used -time 100 and grompp says; Reading frame 500 time
100.000 Using frame at t = 100 ps
Starting time for run is 0 ps
Is there a way that I can have the starting time for the second run be 100ps
so that the numbers match up in the *.edr files and the second run goes from
100ps to 200ps?
Thanks,
Mike Tomasini
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