[gmx-users] Ryckaert-Bellemans potential/OPLS-AA

[David]

On Fri, 2003-06-27 at 18:19, Osmair Vital de Oliveira wrote:
> Hi,
> 
> 	The OPLS-AA consider dihedral potential and LJ1-4 interaction,
> when there is conversion dihedral potential in the OPLS-AA for
> Ryckaert-Bellemans, this is consider LJ1-4 or dihedral potential only?
> 
In OPLS you have both 1-4 and dihedral potentials. Check the manual for
the conversion between OPLS notation for dihedrals and RB.

> Thanks
> 
> 
> _____________________________________________________________________
> ---------------------------------------------------------------------
>                     Osmair Vital de Oliveira
>                            Mestrando
> 
> Laboratorio de Quimica Teorica |  Laboratory of Theoretical Chemistry
> Departamento de Quimica        |  Departament of Chemistry
>                   Universidade Federal de Sao Carlos
>                       Sao Carlos - SP - Brazil
>                     e-mail: osmair at qt.dq.ufscar.br
> _____________________________________________________________________
> ---------------------------------------------------------------------
>                     homepage: www.lqt.dq.ufscar.br
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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