From: Shirley Hui (shirleyhui_at_alumni.uwaterloo.ca)
Date: Sat May 15 2004 - 17:20:03 CDT
I was wondering if it possible to calculate the potential energy value using NAMD of a protein given just it's pdb file.
I realize that NAMD is for running simulations, but I wonder if it would be suitable to just for example run 1 step of the simulation of a protein and then get the potential energy of the structure like that?
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