[gmx-users] exclude pairs from nb pairlist

[David]

On Fri, 2002-11-22 at 13:29, quantix1 at gmx.de wrote:
> 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.
exclude you can do with the energy group exclusions

> 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.
not really

> Thanks,
> 
> Uwe
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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