I would intuitively think you may have to develop by yourself, or I
could be ignorant.
yong
-----Original Message-----
From: owner-amber.scripps.edu [mailto:owner-amber.scripps.edu] On Behalf
Of Ioana Cozmuta
Sent: Monday, July 14, 2003 8:39 PM
To: amber.scripps.edu; Computational Chemistry List
Subject: AMBER: question on LJ parameters for molecules
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 *
*
* NASA-AMES Research Center * "Gravitation can not be held
responsible*
* Mail Stop 230-3 * for people falling in love"
*
* Moffet Field,CA 94035 *
*
* phone: (650) 604-0993 * Albert
Einstein*
* fax: (650) 604-0350 *
(1879-1955) *
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Received on Tue Jul 15 2003 - 05:53:01 PDT
