[gmx-users] Extending a simulation

Shyno Mathew sm3334 at columbia.edu
Tue Apr 17 17:17:22 CEST 2012

Dear all,

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'.


Shyno Mathew
PhD student
Department of Chemical Engineering
Columbia University
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