[gmx-users] g_sas and g_hbond
gmx3 at hotmail.com
Mon Oct 18 18:20:03 CEST 2004
>From: Marc Vogt <mvogt at es.chem.umass.edu>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: gmx-users at gromacs.org
>Subject: Re: [gmx-users] g_sas and g_hbond
>Date: Mon, 18 Oct 2004 12:13:53 -0400 (EDT)
>Got it. Thanks. I guess I could parse the trajectory first
>into smaller windows in the mean time and then do what you suggest
>to obtain the values I'm interested in.
>Or maybe I'll pick away at the code and see what I can do.
>Seems like if the value is obtainable by the method below
>it shouldn't take much coding to get what I want.
I have just implemented it for the next release.
If you want it now, get the code from CVS.
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