From chemistry-request@server.ccl.net Fri Sep 22 12:07:36 2000 Received: from server.biokemi.su.se (server.biokemi.su.se [130.237.179.5]) by server.ccl.net (8.8.7/8.8.7) with SMTP id MAA13982 for ; Fri, 22 Sep 2000 12:07:35 -0400 Received: from mail.biokemi.su.se (unverified [130.237.179.175]) by server.biokemi.su.se (EMWAC SMTPRS 0.83) with SMTP id ; Fri, 22 Sep 2000 18:10:01 +0200 Sender: zhang@ccl.net Message-ID: <39CB8291.73206A75@mail.biokemi.su.se> Date: Fri, 22 Sep 2000 18:02:25 +0200 From: Xiao-Ping Zhang Reply-To: zhang@biokemi.su.se X-Mailer: Mozilla 4.72 [en] (X11; U; Linux 2.2.14-12 i686) X-Accept-Language: en MIME-Version: 1.0 To: chemistry@ccl.net Subject: Autodock: autotors Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Dear autodock experts, I got a problem to run "autotors" on some of my peptide models (the conformation of the peptide might not be realistic, but everyone was refined in molecular modeling program). I got the following error message: mol2flag = 0 hflag = 1 offset = 70 aflag = 1 bflag = 1 bnd format:94 records read in unable to attach all pieces of bond data Does anybody encountered a similar problem before? How to solve it? Thank you advance for any suggestions. Have a nice weekend? Sincerely, Zhang ****************************** Xiao-Ping Zhang Department of Biochemistry Arrhenius Laboratories of Natural Sciences Stockholm Universities 106 91 Stockholm Sweden Phone: 046-08-162472 /162582 Fax: 046-08-153679 e-mail: zhang@biokemi.su.se