[gmx-users] probelm of using amber force field

fancy2012 fancy2012 at yeah.net
Sun Apr 10 12:55:15 CEST 2011

Dear GMX users,
I have a question about running MD simulation using amber force field. It is easy to prepare the top and gro files of protein with amber force field, but how should I prepare the itp and gro files of small molecules  with GAFF force field? I know the program ANTECHAMBER and tleap can generate the some molecule's topology and coordinate. Could someone give me some hints? Thanks very much in advance!

Best wishes,

Qinghua Liao

Ph.D student of Tianjin University, China
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