Saba Ferdous wrote:
Dear Justin,
I have been simulation a protein complex on 10ns. about
4100,000/5000,000 of nsteps had been completed that my system got off
due to electric cut-off.
Now I want to resume this simulation. Is it possible to resume from the
step it got ceased.
Can you please tell me the proper command for the restoration?
As this simulation was running since 6 days and I cant afford to
restart it from the beginning....:(
Kindly tell me the full command to get it start from where it was stopped.
http://www.gromacs.org/Documentation/How-tos/Doing_Restarts
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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