[gmx-users] Is there a way to energy minimize only part of macromolecular structure?
mark.abraham at anu.edu.au
Fri Jun 4 06:28:20 CEST 2010
----- Original Message -----
From: Arthur Roberts <aroberts99163 at yahoo.com>
Date: Friday, June 4, 2010 13:57
Subject: [gmx-users] Is there a way to energy minimize only part of macromolecular structure?
To: gmx users <gmx-users at gromacs.org>
> Hi, all,
> Is there a way to energy minimize only part of the
> structure? I have made the ndx file, but I am not sure
> what parameters to use with mdrun. Your help is much
Freeze groups presumably work with EM. See various places in the manual.
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