[gmx-users] regarding :RMSIP calculation

sanjay23 at iitb.ac.in sanjay23 at iitb.ac.in
Thu Sep 18 13:29:07 CEST 2008

dear groacs users

I want to calculate r.m.s.i.p for exploring convergence of my system and
motions of two different proteins,i divided my trajectory in two equal
parts and did  g_covar for getting eigenvectors and corresponding
eigenvector trjectory as trr file for C-alpha atom of 10 eigenvectors.even
i know how to calculate RMSIP by trr file in Matlab but it is more time
taking process because my system is quite large (509 residues).I need a
script or tools to calculate it. before writting this mail i searched in
gmx- mailing list and i did not find any script for same.
need your help!

thanks in advance.

sanjay upadhyay
research scholar
proein dynamics lab
IIT bombay India

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