inter & intra-molecular interaction energies

From: Tian-Xiang Xiang <>
Date: Thu 13 Feb 2003 17:10:07 -0500

Dear AMBER users:


I have simulated a peptide in a box of solvent molecules using Sander. I need to know the intra-molecular

Interaction of the peptide and the inter-molecular interaction of the peptide with surrounding

solvents. What is the best program to do this? The only program I know that might be able to do this is

“Anal”, but I don’t have an example input file that I can modify to my need. The manual is pretty hard to follow.

Anyone can help?





Received on Thu Feb 13 2003 - 14:10:07 PST
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