[gmx-users] Extending a simulation
sm3334 at columbia.edu
Tue Apr 17 17:17:22 CEST 2012
This is the first time I am trying to extend a run in gromacs.
I read in the gromacs website following are the steps to used for this
tpbconv -s previous.tpr -extend timetoextendby -o next.tpr
mdrun -s next.tpr -cpi previous.cpt
So this means I don't need to modify the .mdp file at all?
For instance, what about these two parameters: tinit, continuation
I thought tinit has to be changed to time last time step of previous run
and continuation has to be set to 'yes'.
Department of Chemical Engineering
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