AMBER Archive (2004)

Subject: RE: AMBER: Restrain or freeze molecule question?

From: Junmei Wang (jwang_at_encysive.com)
Date: Thu Jun 24 2004 - 12:44:03 CDT

Hi,
In amber8, we introduced more atom types for gaff and revised some data
files as well as programs. If you want to use the latest gaff.dat, you
need to get a new version of antechamber package in amber8.

Best

Junmei

==================================================
Dr. Junmei Wang
Chemistry & Biophysics
Encysive Pharmaceuticals Inc.
7000 Fannin, Houston TX 77030
Tel: 713-578-6649
Email: jwang_at_encysive.com
http://amber.scripps.edu/antechamber/antechamber.html
==================================================

Hello!
I would like to know if it's possible in AMBER7 to restrain internal
coordinate of the substrat with the possibility to move within antibody
site (like AutoDock)? In fact, I would like to keep the ab-initio
geometry from Gaussian. Thanks for your help! Bollot Guillaume, group
Mareda , University of Geneva.

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