[gmx-users] Martini simulation problem in recentering trajectory so that the bilayer is at the center

Ran Friedman r.friedman at bioc.uzh.ch
Fri Nov 6 12:15:35 CET 2009

Hi Tsjerk,
Thanks for the long explanation.
> Following this discussion for the past days or so, let's first make
> one thing clear: -pbc nojump is of no use at all when the purpose is
> to keep things together. That only works if everything moves together
> and there is no diffusion, like in protein complexes.
Even in protein complexes with inhibitors it didn't seem to (always)
work, maybe because the protein diffuses with time.

More information about the gromacs.org_gmx-users mailing list