AMBER Archive (2003)

Subject: AMBER: question on LJ parameters for molecules

From: Ioana Cozmuta (ioana_at_nas.nasa.gov)
Date: Mon Jul 14 2003 - 19:38:58 CDT


Hi,

I would like to know where is the best place to look for Lennard Jones
parameters for molecules (and not atoms) for example for CH_3CN, HC_3N,
C_2H_5N. Thus I need LJ sigma and epsilon parameters for molecules and not
individual atoms.

Any reference, link, suggestion would be more than helpful!
THanks,
Ioana

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* Ioana Cozmuta, PhD * *
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