On 8/14/12 1:49 PM, Shima Arasteh wrote:
Hi all,
I'm simulating a system of POPC and water for 50 ns. I set the job but it
interrupted in the middle of the job due to cluster problem and I got the
results up to 40 ns. Is it possible to continue it for the last 10 ns and not
doing the simulation from the beginning?
Please guide me. Your suggestions would be appreciated .
This is an issue discussed frequently on the list.
http://www.gromacs.org/Documentation/How-tos/Doing_Restarts
-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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