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
