[gmx-users] a question related to MD by gromacs

Justin A. Lemkul jalemkul at vt.edu
Mon Mar 5 23:43:49 CET 2012

Dialing Pretty wrote:
> Dear All,
> I plan to do 1 ns MD for a protein with MW 50, 000 by gromacs. As for my 
> gromacs was installed in the cygwin by a laptop, I cannot run it day and 
> night, which means my 1 ns MD needs to have a lot of stops and restart.
> Will you please remind me the gromacs command to reinstiate the gromacs 
> after it has stopped for example at 0.1 ns, which means I will restart 
> from 0.1 ns?




Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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