Hello gromacs users, I want to map the angle between a specific bond vector (defined by the atoms A and B) and the z axis using gmx gangle. I am only interested in bond vectors that have a center-of-mass z-coordinate greater than C. Is there a way to make this selection using the 'gmx select'-type statements? I suspect that the selection below will not produce an appropriately paired set of bond atoms. Am I correct?
-g1 vector -g2 z -group1 ''resname LIG and name A B and part_res_com z > C" Best, Eric -- 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 [email protected].
