Dear GMX community, I read on manual of gromacs that the reference group in pulling code can be defined by absolute position in space.
How can I change my setup for that purpose, for example the coordinate of reference point X0 Y0 Z0 ; Pull code pull = yes pull_ncoords = 1 ; only one reaction coordinate pull_ngroups = 2 ; two groups defining one reaction coordinate pull_coord1_groups = 1 2 pull_group1_name = ACE pull_group2_name = CB50ALA pull_coord1_type = umbrella ; harmonic potential pull_coord1_geometry = direction ; simple distance increase pull-coord1-vec = -1.0 0.0 0.0 pull_coord1_start = yes ; define initial COM distance > 0 pull_coord1_rate = 0.005 ; 0.005 nm per ps = 5 nm per ns pull_coord1_k = 1000 ; kJ mol^-1 nm^-2 Best regards, Quyen -- 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.
