[gmx-users] exclude pairs from nb pairlist

quantix1 at gmx.de quantix1 at gmx.de
Fri Nov 22 13:29:48 CET 2002

Dear Gromacs users,

I'm wondering if it is possible to exclude certain atom pairs from
the nonbonded pairlist or even to predefine a pairlist by hand
and let gromacs (mdrun) use it instead of the one which is
created internally.
It is just for a simple md run in gas phase.
Has anybody done something like this? If there is a simple
way to achieve that, I'd really like to know.


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