On 6/13/12 5:09 AM, Seera Suryanarayana wrote:
Dear all gromacs users,
I am doing moleculer dynamics by using gromacs software.I
got the following error after using the commond" mdrun -deffnm nvt".
Fatal error:
A charge group moved too far between two domain decomposition steps
This usually means that your system is not well equilibrated.
Kindly tell me how to overcome this error.
http://www.gromacs.org/Documentation/Terminology/Blowing_Up
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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