Re: [gmx-users] Dihedral angles Vs time (in ps)
I think to study orientation of ligand, you should choose three points in ligand to defined a plane and then compute angle between that plane in each frame vs the first frame( use module gangle). I don't know whether I misunderstand your question or not. Best regard, Quyền -- 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.
[gmx-users] Dihedral angles Vs time (in ps)
Hi gromacs users, After protein ligand simulation for 1 ns, I want to study the orientation of the ligand molecule. I want to plot time in ps (x-axis) and dihedral angle (of ligand) in (y-axis) and view the corresponding structure of the ligand too. How to do this? Thanks, Neha -- 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.
