From: JC Gumbart (gumbart_at_ks.uiuc.edu)
Date: Tue Jul 26 2005 - 21:07:17 CDT
SMD calculates based on the timestep and the starting position. So as long
as you adjust the timestep accordingly in your new configuration file, you
will be fine using the original coordinates.
From: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] On Behalf
Of Vani Krishna
Sent: Tuesday, July 26, 2005 8:26 PM
Subject: namd-l: restarting SMD jobs
when restarting SMD jobs, should I save the last
configuration for 'SMDFile' ? would restaring with
restart files and the original SMDFile produce any
How to restart SMD jobs?
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