Hi, I gave
gmx mdrun -s md.tpr -cpi md_step17960400.cpt It says, Checkpoint file corrupted or truncated or you are out of disk space? I have deleted files of higher MB. Why the problem persists? Thanks, Neha On Sun, Mar 11, 2018 at 10:55 PM, Mark Abraham <mark.j.abra...@gmail.com> wrote: > Hi, > > Exactly as you ran the original simulation, plus pass the name of the > latest checkpoint file to -cpi. Back up your files first. > > Mark > > On Sun, Mar 11, 2018 at 6:18 PM Neha Gupta <nehaphysic...@gmail.com> > wrote: > > > Hi gromacs users, > > > > I wanted to do simulations fro 50 ns. > > > > But, due to lack of disk space, it abruptly stopped. > > > > > > I have md.xtc, md.cpt, md.log, md_step17960400.cpt, md_prev.cpt. > > > > How to restart the calculation and complete it successfully? > > > > Thanks, > > Neha > > -- > > 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-requ...@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-requ...@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-requ...@gromacs.org.