Hi all, I would like to know if there is a way to figure out which of the replica is exploding during REMD simulation? I am running REMD for 54 replicas and the system is exploding with just one step14495b.pdb and step14495c.pdb files. Does this mean there is just one replica that is exploding? Does this also have to do with the temperature? The equilibration was carried out for 600 ps and the individual replicas have no issues.
Awaiting response. Thanks! Nisha -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
