Dear GROMACS User, I'm running a REMD MD of 32 replicas. It worked for the first few replica exchanges. After 30ps again two replicas were exchanged and I received the Error: x particles communicated to PME node y are more than a cell length out of the domain decomposition cell of their charge group I am using NVT assembles for each replica with a exchanging interval of 5ps. For each replica I use 4 processors. Constraint are only the bonds to hydrogens (constraints = hbonds). Using PME for electro static. When running each replica for its own everything is working fine, nothing is blowing up like one would expect after getting the above Error.
Every help is very welcome Sebastian -- 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
