[gmx-users] g_gyrate

[Mark Abraham]

I'm not sure what the problem is. If you want to merge groups to get the radius of gyration over the union of those groups, then you need to use make_ndx on your previous .ndx file to generate such a group.

Mark

----- Original Message -----
From: "C. Batistakis" <cbatiss at yahoo.gr>
Date: Tuesday, October 12, 2010 21:44
Subject: [gmx-users] g_gyrate
To: gromacs <gmx-users at gromacs.org>

-----------------------------------------------------------
| > Dear all
> 
> I have the following system. Substrate with 3696 particles and 4 polymer chains with 45 beads/chain.  After typing g_gyrate, I have the following option:
> 
> Group     0 (      System) has  680 elements
> Group     1 (         ZZZ) has   500 elements
> Group     2 (         AAA) has    45 elements
> Group     3 (         BAA) has    45 elements
> Group     4 (         CAA) has    45 elements
> Group     5 (         DAA)  has    45 elements
> Select a group:
> 
> Can someone tell me how can I calculate the average radius of gyration  only from the groups 2,3,4,5 of the previous system? 
> 
> Thanks in advance
> Chrysostomos
> 
 |
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> 
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