[gmx-users] Cross-correlation maps

James Starlight jmsstarlight at gmail.com
Wed Aug 15 16:28:29 CEST 2012

Dear Gromacs users!

I want to obtain Cross-correlation maps ( for indication of the
cross-correlated fluctuations of the residues).
The example of such maps can be found here

 I found that modificied version of the G_covar from users
contributions can do such things. But because of the older version of
that program (3.3.3) I've obtained the below error using it with 4.5.5

Reading file md_GO.tpr, VERSION 4.5.5 (single precision)

Program g_covar_mod, VERSION 3.3.3
Source code file: tpxio.c, line: 1192

Fatal error:
reading tpx file (md_GO.tpr) version 73 with version 40 program

Is there newest versions of the G_covar for such things or
alternativelly any others ways to calculate such correlations maps ?

Thanks for help


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