[gmx-users] Restarting simulation from not last checkpoint but previous to last check point

Mark Abraham mark.j.abraham at gmail.com
Thu Nov 23 13:36:14 CET 2017


Hi,

Yes. Back up your files, then start using -cpi state_prev.cpt as part of
your mdrun command.

Mark

On Thu, 23 Nov 2017 12:13 atb files <atbfiles at zoho.com> wrote:

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>             Hi Experts,I am restarting the simulation using command gmx
> mdrun -deffnm name -v -c -s topol.tpr -cpi name.cpt -appendGromacs giving
> error that your checkpoint file is empty/currupted, it happened due to disk
> space. Can I set checkpoint not latest but the one before the latest
> checkpoint.Any help?YogiSent using Zoho Mail
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