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

Osmair Vital de Oliveira osmair at qt.dq.ufscar.br
Fri Jun 27 21:11:01 CEST 2003


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?

Thanks


_____________________________________________________________________
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                    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
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                    homepage: www.lqt.dq.ufscar.br




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