[Dock-fans] Docking to Molecular Dynamics

[Jack Shultz]

Hello,

I am trying to find out what methods are used to prepare docking
complexes for molecular dynamics. Currently I am using autodock4 and
trying to prep the docking complexes for gromacs using amber03 force
fields. My ligand has some incompatibilities. I hear that UCSF has a
good workflow to bring results to molecular dynamics easier.

-- 
Jack

http://drugdiscoveryathome.com