Charge and Force field parametrization

From: Giuseppe Ermondi <giuseppe.ermondi -AatT- unito.it>
Subject: Charge and Force field parametrization
Date: Fri, 19 Apr 2002 14:39:36 +0200

Hi CCL,
 I am working with Autodock and GROMACS and I am looking for
 articles, reviews or other material regarding two subjects:
 1) how can evaluate charge distribution for molecules or groups like
 heme
 in order to obtain reasonable charges (coherent with "classical" sets
 like
 Amber or Kollman charges)? Are there any compilations of charges for
 uncommon
 groups?
 2) how can obtain reasonable parametrization for the same groups? Are
 there
 databases available for the more usefull programs?
 Thank you
 Regards
 Giuseppe Ermondi
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