[gmx-users] LJ-14 / LJ(SR)
joojoojooon at gmail.com
Fri Aug 26 17:04:50 CEST 2011
I know the following question has been discussed many times in the archive
but unfortunately I am still unclear about it therefore I would like to ask
for your patience.
I am interested in non bonded interactions, i.e LJ(SR) and it has been said
that LJ-14 potentials are *inter*molecular non bonded interactions. This
definition confuses me as I can't figure whether they have to be added up to
LJ(SR) (which as I understood correctly contains bonded 1-5, 1-6,...
interactions + all nonbonded interactions between atoms of different
molecules within Rc), or they are treated bonded interactions and must not
be added to LJ(SR). I would like to get a clear idea of the nature of these
types of interactions which I can't realize from the term '*inter*molecular
non bonded interactions".
Please briefly shed some light on this.
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