[gmx-users] Command for MD
tsjerkw at gmail.com
Sat Mar 29 09:01:34 CET 2008
It would help if you mentioned the commadns you used and whatever else
Maybe it's a good time to read http://catb.org/~esr/faqs/smart-questions.html
On Sat, Mar 29, 2008 at 8:56 AM, s lal badshah <shahbiochemist at yahoo.com> wrote:
> Dear Experts,
> Hi, I have done equilibration of a protein but during equilibration due to
> power supply cut off a crash occurred after which I restarted with the
> command tpbconv.
> Now I want to start molecular dynamics simulation but confused how to start
> them.My files before crash are:
> Pr.mdp pr.tpr pr .trr pr.edr pr.log
> while the files generated after crash are:
> myrestar.edr myrestart.gro myrestart.log restart.tpr
> while my md input file is md.mdp
> Please wrote a command in ful from my files so that I can continue my work.
> Will be thankful for your help.
> Lal badshah.
> SYED LAL BADSHAH
> M.Phil Scholar
> NCE in Physical Chemistry,
> University of Peshawar.
> Cell # 03349060632.
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Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
3584 CH Utrecht
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