From chemistry-request@server.ccl.net Fri Jul 26 12:47:33 2002 Received: from hotmail.com ([64.4.15.198]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g6QGlXr18002 for ; Fri, 26 Jul 2002 12:47:33 -0400 Received: from mail pickup service by hotmail.com with Microsoft SMTPSVC; Fri, 26 Jul 2002 09:47:28 -0700 Received: from 128.235.242.51 by lw10fd.law10.hotmail.msn.com with HTTP; Fri, 26 Jul 2002 16:47:28 GMT X-Originating-IP: [128.235.242.51] From: "Deepangi Pandit" To: cchoi@caregroup.harvard.edu, chemistry@ccl.net Subject: Re: CCL:Problem with Autodock 3.0: ATOM_MAPS variable Date: Fri, 26 Jul 2002 12:47:28 -0400 Mime-Version: 1.0 Content-Type: text/plain; format=flowed Message-ID: X-OriginalArrivalTime: 26 Jul 2002 16:47:28.0476 (UTC) FILETIME=[209671C0:01C234C4] Hello: Just few days back on Wed, 17 Jul 2002 Robert Flight has compiled summary of this question .Please visit follwing link: http://www.ccl.net/cgi-bin/ccl/message.cgi?2002+07+17+003 I feel it will solve your problem. Deepangi From: cchoi@caregroup.harvard.edu To: chemistry@ccl.net Subject: CCL:Problem with Autodock 3.0: ATOM_MAPS variable Date: Fri, 26 Jul 2002 11:56:49 -0400 Hello, this is my first posting. I am having a problem when I run a calculation using acetyl-CoA, because there are 7 atom types used, and the default for Autodock 3.0 is 6. This causes autodock3 to crash, and I get the following (the path has been edited): --------------- /autodock3/bin/autodock3: ERROR: ERROR: 7 atom types declared in "A", S_line "CANOPSH"; maximum allowed is 6. Change "ATOM_MAPS" in "autocomm.h" /autodock3/bin/autodock3: Aborting... /autodock3/bin/autodock3: Unsuccessful Completion. ------------------ When I do change either ATOM_MAPS or MAX_MAPS (or both) in autocomm.h, the compile fails. Any suggestions would be greatly appreciated. I am running Redhat LINUX 7.3 on a dual AMD MP workstation. Sincerely, Chu Choi, Ph.D. cchoi@caregroup.harvard.edu -= This is automatically added to each message by mailing script =- CHEMISTRY@ccl.net -- To Everybody | CHEMISTRY-REQUEST@ccl.net -- To Admins Ftp: ftp.ccl.net | WWW: http://www.ccl.net/chemistry/ | Jan: jkl@ccl.net Deepangi _________________________________________________________________ MSN Photos is the easiest way to share and print your photos: http://photos.msn.com/support/worldwide.aspx