Dear Gromacs users, I have question about restarts First I did 50 ns (time step 2fs, total steps 25*10^6) run for my system. Then to extend the run to another 50 ns, I used the following method, : tpbconv_dp -s equil_01.tpr -nsteps 50000000 -o equil_02.tpr
Since I am doing a mutation study, I have multiple runs to analyze. What I have noticed is, that some of the runs didn't complete, so to achieve completion should I use the same step as above, but with new .tpr file name, for eg: tpbconv_dp -s equil_02.tpr -nsteps 50000000 -o equil_03.tpr Thanks in advance, Shyno -- Shyno Mathew PhD student Department of Chemical Engineering Columbia University
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