AMBER Archive (2004)Subject: Re: AMBER:
From: ML (lepsik_at_uochb.cas.cz)
Date: Mon Mar 01 2004 - 08:49:18 CST
Dear Jiten,
for polarizable calculations use B3LYP/cc-pVTZ - derived charges. See,
e.g. Cieplak P et al, J Comput Chem, 2001
All the best,
Martin Lepsik
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Martin Lepsik
Dept. of Molecular Modeling
Institute of Organic Chemistry & Biochemistry
Czech Academy of Sciences
phone: +420-220 183 540
fax:+420-220 183 292
e-mail:lepsik_at_uochb.cas.cz
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