[gmx-users] Re: Extending a simulation
sm3334 at columbia.edu
Wed Apr 18 18:49:24 CEST 2012
Thank you very much for your replies Mark and Justin.
with -deffnm option I can see all the data are written to my previous files.
one final question related to this topic:
tpbconv -s previous.tpr -extend timetoextendby -o next.tpr
Is the 'timetoextendby' the actual time or 'nsteps'? For example in the
.mdp file I have the time step as 0.002 and I want to extend the simulation
by 50 ns.
so should I put timetoextendby as '50000000' or '25000000'?
Department of Chemical Engineering
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