[gmx-users] covariance matrix obtained from g_covar

Amit Kumawat amit.kumawat20 at gmail.com
Wed Nov 4 00:34:34 CET 2015


Dear all,

I have generated a covariance matrix for backbone of a protein using
g_covar. The covariance matrix contains values between all backbone atoms.
However I would like to obtain a combined covariance value per residue. Is
it possible to convert this covariance matrix generated for all atoms into
per residue.

Thanks in advance!

Regards,
Amit


More information about the gromacs.org_gmx-users mailing list