This has nothing to do with SMD runs.
If you hit the wallclock time, you sometimes do not see the 'last'
restart fully written.
You can pick the last frame form the mdcrd and create your new restart.
Adrian
On 10/12/11 4:26 PM, Mo Chen wrote:
> Dear Amber users/developers,
> I am trying to run SMD simulations on Ranger, but my simulations could not
> finish before the maximum runtime (24 hours) even though I would use the
> optimal number of cores. And I heard the SMD restart file is not quite
> usable, but I did not understand why. May I ask anyone has encountered
> similar situations? And how should I solve this problem? Thank you very
> much!
>
>
> Best,
> Mo Chen
> Graduate Student
> 120 Stocking Hall
> Cornell University
> Ithaca, NY 14850
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Dr. Adrian E. Roitberg
Professor
Quantum Theory Project, Department of Chemistry
University of Florida
roitberg.ufl.edu
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Received on Wed Oct 12 2011 - 14:00:02 PDT
