abdul wadood wrote:
Dear GMX users
I was run md simulation of 5000000 steps. But, unfortunately the
computer was shutdown before the completion of the Job.
The simulation was run upto 488200 step. Now, I want to rerun the job
from this state.
Kindly, help me in this regards how to rerun the job from the step where
it was stop.
http://www.gromacs.org/Documentation/How-tos/Doing_Restarts
-Justin
Many regards
Abdul Wadood,
Research Scholar,
Dr.Panjwani Center for Molecular Medicine and
Drug Research,
International Center for Chemical and
Biological Science,
University of Karachi, Karachi-75720, Pakistan.
Email:[email protected]
--
========================================
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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