Hey, after some pain of merging the dev branch into our 4.0.5 version I got the new pull mode "direction_periodic" running over the weekend. There's some weird rotation of the pulled objects going on and pbc seem weird as well (there are water molecules in those positions where I'd expect the periodic image of my diamond slab which leaves the box at one side). I guess you tested the new pull mode somehow, so any ideas what's going on here? I'm still trying to perform the same experiment for which I send you the input files while ago and for which you kindly implemented the new pull mode.
Thx for your help, Alex Berk Hess schrieb: > I have committed a new pull geometry direction_periodic to the git > master branch. It is not documented yet. > It works the same at direction, but allows distances to be larger > than half the box and does not add the pull force to the virial. > > Berk _______________________________________________ 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/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/mailing_lists/users.php
