[gmx-users] g_covar with individual masses

Sebastian Waltz sebastian.waltz at physik.uni-freiburg.de
Mon Apr 15 11:17:49 CEST 2013

Dear Gromacs users,

I want to calculate the covariance matrix of the center of
mass coordinates of non standard residues. Since I want to
do it mass weighted I need to give the center of mass
masses. From which file does g_covar read the masses?

Thanks a lot


More information about the gromacs.org_gmx-users mailing list