RE: restarting SMD jobs

From: JC Gumbart (
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.

-----Original Message-----
From: [] On Behalf
Of Vani Krishna
Sent: Tuesday, July 26, 2005 8:26 PM
To: namd
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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