[gmx-users] Excluding coulomb interactions only
wlash at ucalgary.ca
Fri Nov 19 23:40:48 CET 2004
What is the behavior of gromacs if you are excluding 1-4 interactions,
but have pairs of atoms with L-J parameters listed under [ pairtypes ]?
Is it possible to exclude only 1-4 coulomb interactions while
maintaining interactions defined in [ pairtypes ]? Also, does the LJ
fudge factor (e.g. the OPLS-AA 0.5 factor) get applied to the
interaction parameters listed in [ pairtypes ] or is this factor only
used when regular LJ parameters from [ atomtypes ] are used (with
combination rules, if needed)?
I've seen some stuff in the archives but I couldn't find anything very
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