[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.
Ran.
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