Juliette N. wrote:
Hello everyone,
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.
1-4 interactions are intramolecular, occurring between atoms separated by 3
bonds. They are not intermolecular.
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
The LJ-14 term is a nonbonded term.
-Justin
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.
Thanks,
J.
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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