From chemistry-request@server.ccl.net Thu Jan 17 20:49:32 2002 Received: from mxout1.cac.washington.edu ([140.142.32.5]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g0I1nWI31180 for ; Thu, 17 Jan 2002 20:49:32 -0500 Received: from mailhost2.u.washington.edu (mailhost2.u.washington.edu [140.142.33.2]) by mxout1.cac.washington.edu (8.12.1+UW01.12/8.12.1+UW02.01) with ESMTP id g0I1nKUC006505 for ; Thu, 17 Jan 2002 17:49:20 -0800 Received: from donald ([128.95.128.116]) by mailhost2.u.washington.edu (8.12.1+UW01.12/8.12.1+UW01.12) with SMTP id g0I1nKYE019689 for ; Thu, 17 Jan 2002 17:49:20 -0800 From: "Carsten Detering" To: Subject: autodock, mkdpf3 Date: Fri, 18 Jan 2002 02:38:33 +0100 Message-ID: MIME-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: 7bit X-Priority: 3 (Normal) X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook IMO, Build 9.0.2416 (9.0.2910.0) X-MimeOLE: Produced By Microsoft MimeOLE V5.00.2615.200 Importance: Normal hi fellow autodock users, does any of you know why my mkdpf3 and mkgpf3 work only in my home (~) directory?? it is really anoying to always copy the files needed to create the .dpf and .gpf files there. even if i specify the whole path to my .pdbq and .pdbqs files, it doesent work (that appeared to be the problem with the mol2topdbq scripts, among others). i am working on sgi irix 6.5. further, has anyone of you calibrated the free energy coefficients for different systems than proteins?? thank you for any useful answers carsten ------------------------ Carsten Detering, Ph. D. Varani Research Group University of Washington email: detering@u.washington.edu