[gmx-users] A charge group moved too far between two domain decomposition steps

[mabbasi]

Dear All users


used OPLS ff for my system
After md production i get this error:

Fatal 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 ??

Thank you




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. 
Isfahan, 
I.R.IRAN