[AMBER] restart MD from arbitrary snapshot

From: Milo Westler <milo.nmrfam.wisc.edu>
Date: Sun, 30 Mar 2014 15:29:35 -0500

I am running back-to-back 10ns MD simulations (using pmemd.cuda). I want to
use an arbitrary snapshot, chosen by me, from the just completed trajectory
to be my restart file for the next 10ns run. Can I do this and if so how?
I am using the Netcdf format for the trajectories.

Thanks, 

-- 
-- Milo
===================================================
National Magnetic Resonance Facility at Madison
      An NIH-Supported Resource Center
W. Milo Westler, Ph.D.
NMRFAM Director
Senior Scientist
       and
Adjunct Professor
Department of Biochemistry
University of Wisconsin-Madison
433 Babcock Drive
Madison, WI USA 53706-1544
EMAIL: milo.nmrfam.wisc.edu
PHONE: (608)-263-9599
FAX: (608)-263-1722
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Received on Sun Mar 30 2014 - 14:00:02 PDT
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