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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