[AMBER] About SMD simulation restart file

From: Mo Chen <mc842.cornell.edu>
Date: Wed, 12 Oct 2011 16:26:29 -0400

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
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Received on Wed Oct 12 2011 - 13:30:03 PDT
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