Subject: MD parameters from ab initio

From: Christoph Heidelbach <[email-masked]>
Date: Tue, 27 Feb 1996 18:57:05 +0100

Hallo everybody out there,

I am searching for some information about the evaluation of force field 
parameters for molecular dynamics from ab initio or semiempirical calculations.
What I am looking for is how to fit atomic charges and Lennard-Jones-parameters.
Any answers will be greatly appreciated and I will summerize all replies.

Best regards.

Christoph

___________________________________________________________________________
Dipl.-Chem. Christoph Heidelbach                Max-Planck-Institut 
                                           fuer biophysikalische Chemie
Am Fassberg 11                               
D-37077 Goettingen
Tel.   : (+551) 201 1339
Fax    : (+551) 201 1341
E-Mail.: [email-masked]
         [email-masked]
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