Pi-SCF in CHARMM
Hi,
does anyone know whether a Pi-SCF calculation is possible with the CHARMM force
field ? Or is it not parametrized to be used for such calculations, as e.g. MM3
does ?
Thanks in advance
Serge
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Sergiusz Kwasniewski
LUC SBG/TS
Universitaire Campus Gebouw D
3590 Diepenbeek
BELGIUM
tel(direct): 032 (0)11/268315
fax : 032 (0)11/268301
email : sergiusz.kwasniewski-: at :-luc.ac.be
http://www.luc.ac.be/Research/TheoChem
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