AMBER Archive (2006)

Subject: AMBER: Restraint internal coordinates in Amber 8.0

From: Guillaume Bollot (
Date: Thu Jun 22 2006 - 04:00:03 CDT

Dear Amber community,
I have a protein with an active site and I would like to totally restraint
all the internal coordinate of my substrat (distance, angle and dihedral
angle) during optimization and dynamics.
Is it possible within Amber 8.0?
If it's possible, I would like to have an explicit example (little script)
for my input files.
I read already the section FOUR of Amber manual but I don't really understand!
Many thanks in advance.

BOLLOT Guillaume
Organic Chemistry Department
University of Geneva
30, quai Ernest-Ansermet
CH-1211 Geneva 4
tel. +41-22 379 6155

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