Hi, Please keep discussion on the mailing list.
If you have a .cpt file that is not called state.cpt, then you must have asked for the checkpoint file to be named md.cpt in your original mdrun command (e.g. with mdrun -cpo md). state.cpt is simply the default filename (and mostly there is no reason to change that). Simply use md.cpt, now that you have it :-) Mark On Tue, Sep 17, 2013 at 2:49 AM, Mahboobeh Eslami <mahboobeh.esl...@yahoo.com> wrote: > I have md.cpt but I don't have restart my run > What is the purpose of the state.cpt file? > thank you so much > > From: Mark Abraham <mark.j.abra...@gmail.com> > To: Mahboobeh Eslami <mahboobeh.esl...@yahoo.com>; Discussion list for > GROMACS users <gmx-users@gromacs.org> > Sent: Tuesday, September 17, 2013 9:36 AM > Subject: Re: [gmx-users] How to restart the crashed run > > http://www.gromacs.org/Documentation/How-tos/Doing_Restarts suggests > the 3.x-era restart strategy when checkpoint files are unavailable. > But if you simply have no output files, then you have no ability to > restart. > > Mark > > On Tue, Sep 17, 2013 at 1:59 AM, Mahboobeh Eslami > <mahboobeh.esl...@yahoo.com> wrote: >> hi my friends >> >> please help me >> >> i did 20 ns simulation by gromacs 4.5.5 but the power was shut down near >> the end of the simulation >> How to restart the crashed run? >> >> in the gromacs.org following comment has been proposed >> >> mdrun -s topol.tpr -cpi state.cpt >> >> but i don't have state.cpt in my folder. >> >> I need urgent help >> Thank you very much >> >> -- >> gmx-users mailing list gmx-users@gromacs.org >> http://lists.gromacs.org/mailman/listinfo/gmx-users >> * Please search the archive at >> http://www.gromacs.org/Support/Mailing_Lists/Search before posting! >> * Please don't post (un)subscribe requests to the list. Use the >> www interface or send it to gmx-users-requ...@gromacs.org. >> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
