[Dock-fans] Docking to Molecular Dynamics

Eric Pettersen pett at cgl.ucsf.edu
Tue Jun 23 17:27:32 PDT 2009

> 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.
Maybe you mean Dock Prep? Dock Prep documentation is here: http://www.cgl.ucsf.edu/chimera/current/docs/ContributedSoftware/dockprep/dockprep.html


                         Eric Pettersen
                         UCSF Computer Graphics Lab

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