Depends what's in the _prev files. The original problem might be http://redmine.gromacs.org/issues/801, in which case you should try 4.5.6
On Fri, May 24, 2013 at 1:01 PM, suhani nagpal <suhani.nag...@gmail.com>wrote: > Hello Mark > > Thanks for the suggestions. > > I used gmxcheck on my _prev.cpt files, they all show last time step - 7.3 > ns > > but when I resume remd with _prev.cpt files , it's starting from 0 ps. > > Did i miss something ? > > > On Fri, May 24, 2013 at 3:37 PM, Mark Abraham <mark.j.abra...@gmail.com > >wrote: > > > Probably your set of state_.cpt files is mutually inconsistent after some > > crash, because some files were written and some were not. Use gmxcheck to > > find out the times. The good news is that the _prev.cpt files will allow > > you to construct a self-consistent set. > > > > Mark > > > > > > On Fri, May 24, 2013 at 11:36 AM, suhani nagpal <suhani.nag...@gmail.com > > >wrote: > > > > > Greetings > > > > > > I'm running REMD with 96 replicas. > > > It has run till 7.3 ns after extending it once using > > > > > > mdrun_mpi -s md_.tpr -multi 96 -replex 2000 -cpi state_.cpt -noappend > > > > > > > > > And if i put to restart this again it shows the error: > > > > > > ------------------------------------------------------- > > > Program mdrun_mpi, VERSION 4.5.5 > > > Source code file: main.c, line: 249 > > > > > > Fatal error: > > > The 96 subsystems are not compatible. > > > > > > > > > Kindly assist me regarding this. > > > > > > > > > > > > > > > > > > > > > > > > > > > > > > > > > > > > > > > > > > > > > > > > > > > Suhani > > > SRF > > > CSIR-IGIB, India > > > -- > > > 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
