[gmx-users] Normal Mode Analysis

Vitaly V. Chaban vvchaban at gmail.com
Wed Oct 14 20:06:18 CEST 2015


Perhaps, trjconv -- to delete all you do not need?







On Wed, Oct 14, 2015 at 2:49 PM, Dan Sponseller <gromacs at danpeg.com> wrote:

> Hello.
>
> I am trying to do a Normal Mode Analysis of a polymer in water. I am
> running my minimization right now with -DFLEXIBLE defined.
>
> How do I exclude the water from the analysis. I only want the analysis
> done on the polymer.
>
> Dan Sponseller
> PhD student, George Mason University
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