Dechang Li wrote: > Dear gmx-users， > I want to use ANTECHAMBER & GAFF to generate the topology of a small molecular(HIV-1 Protease inhibitor, Nelfinavir) for gromacs. > But It seems to be not so simple. Is there anyone who did the similar thing before? Is there any tutorials? http://wiki.gromacs.org/index.php/AMBER Mark