[gmx-users] Regarding error.
palusoori at gmail.com
Tue Jun 19 08:49:46 CEST 2012
Dear all gromacs users,
While i am running the commond "mdrun
-deffnm nvt" i am getting the following 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.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users