From chemistry-request@server.ccl.net Thu Jan  2 11:10:55 2003
Received: from smtp01.sohu.com ([61.135.132.105])
	by server.ccl.net (8.11.6/8.11.0) with ESMTP id h02GAr903578
	for <chemistry@ccl.net>; Thu, 2 Jan 2003 11:10:54 -0500
Received: from pak3 (unknown [140.232.202.227])
	by smtp01.sohu.com (Postfix) with ESMTP id 863945367A
	for <chemistry@ccl.net>; Thu,  2 Jan 2003 23:43:38 +0800 (CST)
Message-ID: <031e01c2b279$5d1bb8c0$e3cae88c@pak3>
From: "Alan Leo" <ralyboy@sohu.com>
To: <chemistry@ccl.net>
References: <3E144367.1821EAED@ysbl.york.ac.uk>
Subject: FLEXX error message from ligand MOL2 read
Date: Thu, 2 Jan 2003 11:09:27 -0500
MIME-Version: 1.0
Content-Type: text/plain;
	charset="iso-8859-1"
Content-Transfer-Encoding: 7bit
X-Priority: 3
X-MSMail-Priority: Normal
X-Mailer: Microsoft Outlook Express 6.00.2600.0000
X-MimeOLE: Produced By Microsoft MimeOLE V6.00.2600.0000

Hi, All:

I am using FLEXX evalution now, but when I input the ligand minimization
mol2 file,
the following error messgae is appeared:
_____________________________________________
FLEXX> lig
FLEXX/LIGAND> read TSB_min
 >> DATA ERROR: No molecules found.
    [occured in line 126 of file TSB_min]
Segmentation fault (core dumped)
_____________________________________________

I have three question:
1. I don't know if there is any newsgroup related to FLEXX except chemweb
newsgroup.

2.  The error message above point out the error of my sybyl mol2 file error,
or maybe it
is because of other reasons.

3.  Should I minimize the ligand structure before I generate the *_min.mol2
file?  Which software
I should use?

Don't peng me, I am a newbie.  :)  Your help is much appreciated..

Best,
Alan