[gmx-users] Re: Overriding "genpairs=yes" default for one specific molecule?

[David]

On Fri, 2005-04-15 at 17:03 -0600, Walter Ash wrote:
> One additional thing, in case it was not clear:  I also wish to exclude 
> the calculation of all charge-charge / coulomb interactions between 1,4 
> bonded neighbors, for the entire molecule.  Does "nrexcl = 3" (after the 
> molecular name) take care of this?
yes.

> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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