RE: Restartname

From: Michel Espinoza-Fonseca (mef_at_ddt.biochem.umn.edu)
Date: Thu May 05 2005 - 21:48:00 CDT

You have to specify restartname if you want to create restart files of your subsequent simulations. If you’re restarting your simulation using restart files, you have to specify “coordinates”, “velocities” and “extendedSystem” (if you’re saving your restart files in binary format, you have to write “bincoordinates” and “binvelocities”, instead of “coordinates” and “velocities”… the extended system file is written in plain text)

 

Hope it helps,

Peace,

Michel

 

________________________________

From: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] On Behalf Of Boyang Wang
Sent: Thursday, May 05, 2005 7:19 PM
To: namd-l_at_ks.uiuc.edu
Subject: namd-l: Restartname

 

Hi all. Do I have to specify the "restartname" if I restart namd from previously saved output.coor and output.vel files?

      Thanks.

Boyang

 

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