Hi, Alex I tried this code plus freeze all of the atoms in the group needed to stay in place, and it worked well. -----Original Message----- From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se [mailto:gromacs.org_gmx-users-boun...@maillist.sys.kth.se] On Behalf Of Alex Sent: Thursday, 23 April 2015 9:47 AM To: Discussion list for GROMACS users Subject: Re: [gmx-users] Pull code
The CNT group is actually very strongly restrained, not the entire atomic population, but the edges. So, from inspecting my code, everything looks right? Thanks, Alex > >Not really. The constraint option keeps a rigid constraint between > >the > two groups. The "umbrella" keyword specifies a >harmonic potential, > whose strength is tunable. Otherwise, the two methods are identical. > > >If one group needs to stay in place, it needs position restraints > >applied > to it. If the desired separation is not occurring, >either a larger > spring force constant or a faster pull rate is needed. > > > >-Justin > > -- 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. -- 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.