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 purpose:
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'. thanks Shyno -- Shyno Mathew PhD student Department of Chemical Engineering Columbia University
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