[gmx-users] Regarding error.

Emanuel Birru Emanuel.Birru at monash.edu
Tue Jun 19 08:57:10 CEST 2012

Check this page for clarification


I guess this issue was also addressed before :




From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org] On Behalf Of Seera Suryanarayana
Sent: Tuesday, 19 June 2012 4:50 PM
To: gmx-users at gromacs.org
Subject: [gmx-users] Regarding error.

Dear all gromacs users,
                                  While i am running the commond "mdrun -deffnm nvt" i am getting the following error.

     Fatal error:
1 particles communicated to PME node 1 are more than 2/3 times the cut-off out of the domain decomposition cell of their charge group in dimension x.
This usually means that your system is not well equilibrated.

Kindly tell me how to over come this error.

Suryanarayana Seera,
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