[gmx-users] How to calculate the distances
ZHAO0139 at e.ntu.edu.sg
Thu Aug 26 09:27:07 CEST 2010
From: gmx-users-bounces at gromacs.org [gmx-users-bounces at gromacs.org] on behalf of Mark Abraham [mark.abraham at anu.edu.au]
Sent: Thursday, August 26, 2010 1:48 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] How to calculate the distances
----- Original Message -----
From: #ZHAO LINA# <ZHAO0139 at e.ntu.edu.sg>
Date: Thursday, August 26, 2010 15:17
Subject: [gmx-users] How to calculate the distances
To: "gmx-users at gromacs.org" <gmx-users at gromacs.org>
> Hi all,
> I guess the question I'm going to ask probably is a bit simple to those who know, well. After MD, I got a dimer, how could I get the distance of those two proteins, the centre of mass distance. In this simulation, there were six involved, but I only want to calculate the two of them.
Probably g_dist. See section 7.4 of the manual for some clues, and then the man pages of the individual tools for more information.
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