[gmx-users] Restarting simulation from not last checkpoint but previous to last check point
atb files
atbfiles at zoho.com
Sat Nov 25 16:20:34 CET 2017
Thanks Mark :)Sent using Zoho Mail---- On Thu, 23 Nov 2017 18:06:00 +0530 Mark Abraham<mark.j.abraham at gmail.com> wrote ----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: > > > > > 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 > > > > > > > > > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-request at gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.
More information about the gromacs.org_gmx-users
mailing list