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 <[email protected]>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 [email protected] > 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 [email protected]. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- gmx-users mailing list [email protected] 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
