[gmx-users] How to calculate the distances

Mark Abraham mark.abraham at anu.edu.au
Thu Aug 26 07:48:54 CEST 2010

----- 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>

   P {margin-top:0;margin-bottom:0;} -----------------------------------------------------------

 >  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.


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20100826/baba1f92/attachment.html>

More information about the gromacs.org_gmx-users mailing list