Thank you for your reply. Yes, The .itp file for methanol comes from gromacs. But but I need the .gro file. I need the geometric parameters like distances, angles and diedrals. these parameters are not in the .itp file or I'm wrong??
Best regards D.V. -- 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.
