Subject: Force Field Parameters Needed.

From: "J.Lin" <[email-masked]>
Date: Mon, 26 Jan 1998 20:09:26 +0100 (MET)

Dear CCLers,

Could anyone provide me the Force Field parameters 
for a double bond in an alkane chain (united atom)? Either AMBER,
OPLS, CVFF, or CHARMM parameters are welcomed.

                        -C---C===C---C-
     ATOM TYPE:          C2  CX  CX  C2

What I need are following:

   1) bond stretch parameter for C2-CX
   2) angle bend parameter for C2-CX-CX
   3) dihedral torsion parameters for C2-CX-CX-C2 and C2-C2-CX-CX

Please also tell me the physical unit you use.

Thank you very much in advance!

Jung-hsin Lin
-- 
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Jung-hsing Lin 
Forum Modellierung und Institut fuer Festkoerperforschung 
Forschungszentrum Juelich GmbH. D-52425 Juelich. Germany 
Phone (Office): +49-2461-61-2515; Fax: - 2983; email: [email-masked]   
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From: Rick Venable <[email-masked]>
Date: Tue, 27 Jan 1998 14:28:09 -0500 (EST)

>    3) dihedral torsion parameters for C2-CX-CX-C2 and C2-C2-CX-CX

There are CHARMM parameters for an isolated -C=C- bond in

Biophysical J. 73:2269-2279 (1997)

--
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