[gmx-users] MD stop,systme not equilibrium
jalemkul at vt.edu
Tue Apr 2 12:51:36 CEST 2013
On 4/2/13 3:24 AM, aixintiankong wrote:
> when i make MD of my system, i set the MD stop ater 3ns. however, when the gromacs stop , i find that the system of protein and ligand is not equilibrium, i want to continue the process to 5ns. but i don't konw how to do this.please help me.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
More information about the gromacs.org_gmx-users