Dear all, I have been trying to use gmx gangle for the calculation of the following angle : I have a group of 3 residues and another group of 4 residues. I want to define a vector which goes through the center of mass of these two groups and I am interested in calculating the angle of the vector w.r.t to the Z-axis, which seems doable from the gmx gangle. based on the documentation, I write the following :
*gmx angle -f traj.xtc -s topol.tpr -n index.ndx -g1 -vector -g2 z -group1 <contains-all-the-atoms-in-aboved-mentioned-groups> -seltype res_com -selrpos -res_com -oav -all * but I don't think this is correct because I am calculating the center of mass of whole group. Is there a way to calculate this angle? Thanks, -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
