[gmx-users] g_covar to calculate correlation of motion

Tsjerk Wassenaar tsjerkw at gmail.com
Mon Feb 21 08:14:26 CET 2011

Hi Bipin,

Try using a .gro or .pdb file as reference structure (-s). Only .tpr files
are version specific.



On Feb 21, 2011 8:05 AM, "bipin singh" <bipinelmat at gmail.com> wrote:

Dear GMX users,
I want to calculate the correlated motion between atoms during the md simulation
for that purpose I am using g_covar(the one which is available under

but it is not compatible with the GROMACS-4.5.3, so please suggest me
the alternative way or does anyone have the modified g_covar for

Thanks and regards
Bipin Singh

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