[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
More information about the gromacs.org_gmx-users
mailing list