[AMBER] MM-PBSA free energy calculation with keeping x-ray water

From: bharat lakhani <lakhbharat.gmail.com>
Date: Mon, 3 Aug 2015 15:45:26 -0400

Dear Amber users

Is it possible to run a MM-PBSA binding free energy calculation through
keeping x-ray waters in the ligand file along with the ATP-MG, as they are
important for stabilization. Thanks

-- 
regards
Bharat Lakhani
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber

Received on Mon Aug 03 2015 - 13:00:05 PDT