[gmx-users] A charge group moved too far between two domain decomposition steps
mabbasi at pharm.mui.ac.ir
Tue Sep 17 13:26:15 CEST 2013
Dear All users
used OPLS ff for my system
After md production i get this error:
A charge group moved too far between two domain decomposition steps
This usually means that your system is not well equilibrated
How to solve the problem ??
maryam abbasi, PhD student of Medicinal Chemistry
Department of Medicinal Chemistry,
Faculty of Pharmacy and Pharmaceutical Sciences (http;//pharm.mui.ac.ir/)
Isfahan University of Medical Sciences (http://www.mui.ac.ir),
Hezar Jerib Ave.
More information about the gromacs.org_gmx-users