[AMBER] About interaction energy over time

From: Mo Chen <mc842.cornell.edu>
Date: Tue, 20 Dec 2011 16:44:18 -0500

Dear Amber developers/users,
I would like to calculate the interaction energy between ligand and protein
for each frame of the trajectory. May I ask if there is code for this? I
did not find such information in the Manual and only found the following
program could do it. I wonder if there is just a one line code instead.
Thank you very much!


Mo Chen
Graduate Student
Cornell University
Ithaca, NY
AMBER mailing list
Received on Tue Dec 20 2011 - 14:00:03 PST
Custom Search