[gmx-users] covariance map for all residues
dehghanmarzieh at gmail.com
Thu Nov 2 18:03:18 CET 2017
I want to draw covariance map using gromacs, so I have two questions:
1- I used the following command,but x and y axis show based on atom:
gmx covar -s md.tpr -f md.trr -o eigenval.xvg -v eigenvect.trr -xpma
the number of atoms on the x and y axis is less than total atom numbers in
the pdb files, why is there this conflict?
2- I want to determine covariance map based on residue number, please let
me know which command can I used to solve this problem?
thanks a lot
*Marzieh DehghanPhD of BiochemistryInstitute of biochemistry and Biophysics
(IBB)University of Tehran, Tehran- Iran.*
More information about the gromacs.org_gmx-users