Hello, 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'? -- Shyno Mathew PhD student Department of Chemical Engineering Columbia University
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