On 4/2/13 3:24 AM, aixintiankong wrote:
Dear,
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.
http://www.gromacs.org/Documentation/How-tos/Extending_Simulations
-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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