[gmx-users] REMD system blowing up
nishnith20591 at gmail.com
Tue Sep 29 06:36:44 CEST 2015
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.
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