Would APBS do what you want? http://www.poissonboltzmann.org/apbs/
It has interfaces with Pymol, VMD and others... ________________________________ From: Rex Palmer <rex.pal...@btinternet.com> To: CCP4BB@JISCMAIL.AC.UK Sent: Wed, October 13, 2010 6:43:49 AM Subject: [ccp4bb] protein ligand energy Can anyone reccomend a free download program that will calculate the energy of a protein/ligand complex? The ligand has been modelled in. Thanks Rex Palmer Birkeck College