AMBER Archive (2004)

Subject: Re: AMBER: antechamber

From: Amber admin (amber-admin_at_scripps.edu)
Date: Wed May 05 2004 - 15:51:22 CDT

Hi, Guanglei,
In default, antechamber will run bondtype if the file format (such as gout)
does not provide this information. The warning message means that bondtype
program may not assign the bond types (according to am1-bcc definition)
correctly. In most of cases, this error is caused by incorrect bond
connectivity. Therefore in case of error happens, it is recommended to run
separately programs (espgen, respgen, atomtype, prepgen etc) and do some
manual revisions. Please go to trouble-shooting of antechamber homepage for
details.

Best regards

Junmei
===============================================================
Dr. Junmei Wang
Chemistry & Biophysics
Encysive Pharmaceuticals
7000 Fannin, Houston TX 77030
Tel: 713-5786649
Email: jwang_at_tbc.com
Homepage: http://sigyn.compchem.ucsf.edu/members/jmwang/index.html
===============================================================

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu