Subject: FLEXX error message from ligand MOL2 read

From: "Alan Leo" <[email-masked]>
Date: Thu, 2 Jan 2003 11:09:27 -0500

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