Subject: RE: CCL:force fields and forces

From: Lipkowitz <[email-masked]>
Date: Tue, 12 Apr 1994 12:51:37 +0000 (U)

A compilation of MM2 parameters that have been published can be found in:
K.B.Lipkowitz "MM2 Parameters" QCPE Bulletin, 12(1), 6-11, 1992

and a list of published parameters for all force fields in:

E.Osawa and K.B.Lipkowitz "Enlarged table of ad hoc parameters for molecular
mechanics"  JCPE Newsletter, 5(1), 3-23, 1993.  JCPE is the Japanese Chemistry
Program Exchange.
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From: Tom Sundius U of Helsinki +358 0 1918339 <[email-masked]>
Date: Wed, 13 Apr 1994 15:04:51 +0200 (EET)

A good book about molecular mechanics force fields which I would like to 
recommend, is the following:

Kjeld Rasmussen: Potential Energy Functions in Conformational Analysis, 
Lecture Notes in Chemistry vol. 37, Springer-Verlag (1985)

It contains an evaluation of many published force field (prior to 1985) 
and has a lot of references.

            Best regards,

              Tom Sundius

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From: David Case <[email-masked]>
Date: Wed, 13 Apr 1994 19:33:38 -0700 (PDT)

You might want to get the public domain package "moil" from the University
of Illinois at Chicago.  It will show you how to calculate forces on atoms,
and has (I believe) AMBER and Charmm force field parameters.

...d.a. case