[gmx-users] Dynamics cross correlation map
sukesh chandra gain
sukesh at atc.tcs.com
Tue Mar 23 11:44:48 CET 2010
Could you please tell how to get the Dynamic Cross Correlation map
with Gromacs analysis tool or other tools. I want to know over a 20 ns
simulation whether the motions of two residues or group of residues are
correlated or anti correlated. For this I want to plot a dynamics cross
correlation map in which I could get the precise information of group of
I have done the following step and got the covariance matrix but don't
know how to proceed further.
>g_covar -f traj.xtc -s topol.tpr -o eigenval.xvg -v eigenvec.trr -l
covar.log -xpm covar.xpm -ascii covar.dat
Waiting for your input.
Sukesh Chandra Gain
TCS Innovation Labs
Tata Consultancy Services Ltd.
'Deccan Park', Madhapur
Phone: +91 40 6667 3572
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