kim2811 wrote > Hi, > > I am not sure if I quite understand what reference group and pulling group > mean in COM pulling. For the version GROMACS 4.X, I specified in my .mdp > file the pull_ngroup = 1, and then I have my pull_group0 and pull_group1. > Am I right in saying that the pull_group0 is fixed and only the > pull_group1 > is pulled? Or are they simultaneously being pulled by two virtual springs? > If this is the case, how is the force output measured?
That depends on other options, such as pull_geometry. All of this is really well explained in the manual, section 7.3.21. Best, Alex -- View this message in context: http://gromacs.5086.x6.nabble.com/how-is-the-pulling-force-measured-tp5007769p5007770.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
