[gmx-users] RMSIP (Root mean square inner products)?

Mark Abraham mark.abraham at anu.edu.au
Tue May 18 19:25:51 CEST 2010

----- Original Message -----
From: pawan raghav <pwnrghv at gmail.com>
Date: Tuesday, May 18, 2010 17:34
Subject: [gmx-users] RMSIP (Root mean square inner products)?
To: gmx-users at gromacs.org

> Please tell me how gromacs calculates degree of overlap between conformational spaces of the two proteins is it from RMSIP (Root mean square inner products)? if yes then give me the reference in gromacs tutorial 4.0> 

GROMACS probably doesn't have a shrink-wrapped tool to calculate this. You can probably get the job done with some combination of tools, however. IIRC someone asked about this previously on the list, so please search.


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