[gmx-users] OPLS atom types?

Dr Seth Carlton OLSEN s.olsen1 at uq.edu.au
Thu Oct 7 08:48:52 CEST 2004

Dear Gromacs Users,

Relating to my earlier question of how to reparametrize a modified amino acid, I've since come to understand that the best route for my purposes may be to choose the best OPLS atom types for the molecule at hand.  Can anyone tell me where to find a list of the OPLS atom types, with chemical descriptions and parameters?  




Dr Seth Olsen, PhD
Postdoctoral Fellow, Computational Systems Biology Group
Centre for Computational Molecular Science
Chemistry Building,
The University of Queensland
Qld 4072, Brisbane, Australia

tel (617) 33653732
fax (617) 33654623
email: s.olsen1 at uq.edu.au
Web: www.ccms.uq.edu.au 


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