[gmx-users] (no subject)
Justin A. Lemkul
jalemkul at vt.edu
Wed Jun 13 11:39:48 CEST 2012
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.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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