Re: force field parameters for torsions

From: David A. Case <case.scripps.edu>
Date: Mon, 19 May 2003 10:44:27 -0700

On Mon, May 19, 2003, cailliez wrote:
>
> I would like to understand how the torsion's parameters are defined in
> the parm99.dat (or parm98.dat).
> Indeed, for some types of torsions there are two or three lines with
> different parameters for the same torsion !!!!
> I guess there is some explanation I do not know.
> I wonder which line(s) is read by Leap to make the topology file.

Please see pages 289-293 of the Users' Manual.

...good luck...dac 

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David A. Case                     |  e-mail:      case.scripps.edu
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Received on Mon May 19 2003 - 18:53:01 PDT
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