This is part of what state_prev.cpt is for - if only some of the new .cpt files have made it to disk, you still have a full set of matching .cpt files, but not with consistent names. Use gmxcheck to see the times.
Mark On Fri, Apr 19, 2013 at 3:24 PM, andrea spitaleri <spitaleri.and...@hsr.it>wrote: > Hi there, > > I am performing a remd (8 replica) using gromacs-4.5.3 > Unfortunately, the job crashed for a problem with our cluster. We > attempted to restart the simulation using the checkpoint files, but two on > the eight have different time frame. > To restart the simulation, I used the old feature of tpbconv, i.e. cut the > all trr files to the same time, regenerate new tpr files from them. > > I am wondering whether there is a smart way to proceed in that situation, > i.e. generate a new checkpoint file from the trr. > > thanks in advance > > and > > -- > ------------------------------**------------------------------**- > Andrea Spitaleri PhD > Dulbecco Telethon Institute c/o Fondazione Centro San Raffaele > Centro di Genomica Traslazione e Bioinformatica > Biomolecular NMR Laboratory Dibit2 Basilica 3A2 > Via Olgettina 58 > 20132 Milano > Italy > Tel: 0039-0226434348 > Fax: 0039-0226434153 > http://sites.google.com/site/**andreaspitaleri/<http://sites.google.com/site/andreaspitaleri/> > http://biomolnmr.org/ > http://www.linkedin.com/in/**andreaspitaleri<http://www.linkedin.com/in/andreaspitaleri> > ------------------------------**------------------------------**- > ------------------------------**------------------------------** > -------------- > LA TUA CURA E' SCRITTA NEL TUO DNA. AL SAN RAFFAELE LA STIAMO REALIZZANDO. > AIUTA LA RICERCA, DAI IL TUO 5XMILLE - CF: 07636600962 > info:www.5xmi...@hsr.it - www.5xmille.org > > Disclaimer added by CodeTwo Exchange Rules 2007 > http://www.codetwo.com > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > * Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<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<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
