You named them last time you ran mdrun, either explicitly or with -deffnm. Do the same.
Mark On Tue, Sep 17, 2013 at 3:19 AM, Mahboobeh Eslami <mahboobeh.esl...@yahoo.com> wrote: > when i use following omment for restart > > mdrun -s md.tpr -cpi md.cpt > i get following error > > Output file appending has been requested, > but some output files listed in the checkpoint file md.cpt > are not present or are named differently by the current program: > output files present: md.log > output files not present or named differently: md.trr md.edr > > > but i have md.trr and md.edr in my folder. > > thank you so much > > > ----- Forwarded Message ----- > From: Mark Abraham <mark.j.abra...@gmail.com> > To: Discussion list for GROMACS users <gmx-users@gromacs.org> > Sent: Tuesday, September 17, 2013 11:22 AM > Subject: Re: [gmx-users] How to restart the crashed run > > > 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 > -- > 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
