Re: [gmx-users] REMD problems

Thank you very much Marcus and Berk, it's running!!! 2008/6/6, Marcus Kubitzki <[EMAIL PROTECTED]>: > > Hi Diego, > > during initialization of an REMD run, GMX checks if certain > properties are equal among replicas. If not, this incompatibility > errors occurs. Check the log files, for there is w

RE: [gmx-users] REMD problems

Hi, There should be an error message with what does not match in your log files. Berk. Date: Thu, 5 Jun 2008 15:41:50 -0300 From: [EMAIL PROTECTED] To: gmx-users@gromacs.org Subject: [gmx-users] REMD problems Dear gmx-users, I am facing some problems with replica exchange. Few seconds after t

Re: [gmx-users] REMD problems

Hi Diego, during initialization of an REMD run, GMX checks if certain properties are equal among replicas. If not, this incompatibility errors occurs. Check the log files, for there is written what is not identical in one of your replicas. Look for "XXX is not equal for all subsystems" Marcus Di