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

Walter Ash wlash at ucalgary.ca
Sat Apr 16 01:03:57 CEST 2005

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?

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