Dear list, I want to pull my protein away from each other using a constant force. I fix one end (group 'start') and used the following pull code but found that 2 pulling groups are getting closer no matter whether I set pull-coord1-k as 1000 or -1000.
; COM pulling. pull = constant-force pull-geometry = direction-periodic pull-start = yes pull-ngroups = 2 pull-ncoords = 1 pull-coord1-groups = 1 2 pull-group1-name = start pull-group2-name = end pull-coord1-k = 1000 pull-coord1-vec = 1 0 0 is my code correct? Do I have to set a virtual point to pull the 'end' group? Your help will be appreciated! -- 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.
