[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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