[gmx-users] Docking Energy confirmation

Filipe Maia fmaia at gmx.net
Thu Dec 4 01:50:01 CET 2003

I'm doing docking "calculations" with Autodock3.05.
My question is, is there any way to use the energy minimization procedure 
Gromacs to relax the conformations obtained from autodock and have a 
better estimate
of their energy (in comparision tothe energy that autodock gives as 

Don't go around saying the world owes you a living.
The world owes younothing.  It was here first.
          -- Mark Twain

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