Dear all,
i want to parametrise a not so small molecule (300 around half of them are hydrogens). the really flexible part of that molecule consits of a ring structure, which is build from 4 benzene molecules (B) and 4 alkane-chains (C) (14 carbon-units):
B-C-B-C
| |
C-B-C-B
so my question now is, how many different conformations one should use to derive the resp-charges?
thanks for your help.
greetings
thomas
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Received on Tue Nov 16 2010 - 14:30:04 PST
