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.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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Received on Thu Jun 24 2004 - 18:53:01 PDT
