[gmx-users] Protein Solvent Dynamics - Coordinates for docking

[Mark Abraham]

ram bio wrote:
> Dear Justin,
> 
> Thanks for the suggestion and advice.
> As i have used a modelled protein and want to obtain the lowest energy
> configuration of the protein by doing dynamics, 

That's all very well, but what will that give you other than a set where 
the partition of total energy into potential and kinetic was skewed one way?

Mark