[gmx-users] on md of protein-ligand complex

Brett brettliu123 at 163.com
Tue Apr 12 05:12:39 CEST 2016

Dear All,

For a MD of a protein-ligand complex, I intend to use AMBER99SB-ILDN protein force field for the protein part. If I use the antechamber (for GAFF force field) to produce the ligand top file and gro file, can GROMCS accept this kind of antechamber produced ligand files for MD?


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