[gmx-users] GROMACS/GROMOS96 oleate topology

Ivano Eberini Ivano.Eberini at unimi.it
Mon Jun 3 16:48:26 CEST 2002


Dear all,
I would like to run a MD of a protein with its ligand (oleic acid). I 
have obtained a topology for oleate by PRODRG server, but this topology 
refers to the GROMACS force field. Is there any way to obtain a topology 
referred to the GROMOS96 force field?

Do you deem the GROMOS96 ff is better than the GROMACS one for MD of a 
protein with such a lipidic ligand?

Thanks a lot,
Ivano
--
Ivano Eberini
Gruppo di Studio per la Proteomica e la Struttura delle Proteine
Dipartimento di Scienze Farmacologiche
Università degli Studi di Milano
Via G. Balzaretti, 9
20133 - Milano
Tel.: +390250318359-8304/-8359 Fax: +390250318284

SPIRITVS DVRISSIMA COQVIT




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