From chemistry-request@server.ccl.net Wed Jul 10 22:49:32 2002 Received: from ALPHA9.CC.MONASH.EDU.AU ([130.194.1.9]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g6B2nVp06595 for ; Wed, 10 Jul 2002 22:49:31 -0400 Received: from kapow.its.monash.edu.au ([130.194.1.71]) by vaxh.cc.monash.edu.au (PMDF V5.2-31 #39306) with ESMTP id <01KJYWGG6CNW8ZNV4K@vaxh.cc.monash.edu.au> for chemistry@ccl.net; Thu, 11 Jul 2002 12:49:26 +1000 Received: from kapow (unknown [127.0.0.1]) by localhost (Postfix) with ESMTP id 37B1020006 for ; Thu, 11 Jul 2002 02:49:26 +0000 (/etc/localtime) Received: from MCHEM217007 (mchem-217-007.vcp.monash.edu.au [130.194.217.7]) by kapow.its.monash.edu.au (Postfix) with SMTP id 2429120006 for ; Thu, 11 Jul 2002 12:49:21 +1000 (EST) Date: Thu, 11 Jul 2002 12:49:21 +1000 From: Jerome Wielens Subject: error with dock4.0.1 To: chemistry@ccl.net Message-id: <007f01c22885$8ed04350$07d9c282@vcp.monash.edu.au> MIME-version: 1.0 X-MIMEOLE: Produced By Microsoft MimeOLE V6.00.2600.0000 X-Mailer: Microsoft Outlook Express 6.00.2600.0000 Content-type: text/plain; charset=iso-8859-1 Content-transfer-encoding: 7BIT X-Priority: 3 X-MSMail-priority: Normal Dear all, I have been using Dock 4.0.1 and am having problems with a few compounds. Dock is breaking apart the starting structure and only docking a portion of the ligand. The error reported in the dock.out file was: WARNING shrink_list: No members provided This error occured when I ran Dock 4.0.1 on either a unix or linux platform. The starting structure was retinoic acid. The same error occured for isoretinoin. These were not the only cases. The starting structures were fine. I also rebuilt these structures to make sure with the same error occuring. I cannot find any information about this error in the Dock manual. Can anyone tell me what this error means and how I can avoid it. Thanks Jerome Wielens