From: Rosemary Harrison <r.harrison@im...> - 2008-12-21 11:11:32
> Hi APBS users,
> I am looking for some advice on electrostatic maps of small molecules.
> What is the best program for this?
> Is there anyway I can calculate the desolvation energy at the same
> I have tried to create a PQR file for APBS (through PDB2PQR) with
> the pdb of the small molecule (and the mol2 file) - but it seems to
> be hanging after 4 days.
> Any help would be greatly appreciated
> Rose Harrison