[gmx-users] Is there a way to energy minimize only part of macromolecular structure?

[Mark Abraham]

----- 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 
> appreciated.

Freeze groups presumably work with EM. See various places in the manual.

Mark

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