On 1/27/13 9:49 PM, Xu Dong Huang wrote:
Dear advanced users,
I'm trying determine the procedure for extending NPT run (i.e I realized the
NPT run I did wasn't long enough, so I wish to run it for another million
steps. ) what should I do to set up the run again continuing with the previous
data?
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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