GROMACS version: 2020.2
GROMACS modification: No
I don’t know why there is no option in GROMACS to save old cpt file as a default (ok it makes prev_cpt, but it is not enough). For example when I create new tpr, the old tprs is save like #eq2.tpr.1# #eq2.tpr.2# Why they are not creating the same thing for .cpt files. From time to time I made some mistakes and lose my cpt file, so I save them now by myself, so I have a question is it possible to save old .cpt files automatically in gromacs as #eq2.cpt.1# etc?
mdrun -cpnum will keep each .cpt file. It’s not default because it’s very unusual for someone to need to keep every checkpoint along an entire simulation. It will consume a lot of disk space, so be prepared for that.
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