From chemistry-request;at;ccl.net Mon Nov 15 10:06:56 2004 Received: from mail.ic.sunysb.edu (mail.ic.sunysb.edu [129.49.1.4]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id iAFF6tc8027587 for ; Mon, 15 Nov 2004 10:06:55 -0500 Received: from postal.ic.sunysb.edu (mail [129.49.1.4]) by mail.ic.sunysb.edu (8.13.1/8.13.1) with SMTP id iAFFHACa015728 for ; Mon, 15 Nov 2004 10:20:45 -0500 (EST) Received: from smtp.ic.sunysb.edu ([129.49.1.24]) by postal.ic.sunysb.edu (SMSSMTP 4.0.0.59) with SMTP id M2004111510204532498 for ; Mon, 15 Nov 2004 10:20:45 -0500 Received: from sparky.ic.sunysb.edu (daemon.-at-.sparky.ic.sunysb.edu [129.49.1.3]) by smtp.ic.sunysb.edu (8.13.1/8.13.1) with ESMTP id iAFFKiQR023322 for ; Mon, 15 Nov 2004 10:20:44 -0500 (EST) Received: from localhost (yonyang %-% at %-% localhost) by sparky.ic.sunysb.edu (8.12.10/8.12.9) with ESMTP id iAFFKe4l007207 for ; Mon, 15 Nov 2004 10:20:44 -0500 (EST) Date: Mon, 15 Nov 2004 10:20:40 -0500 (EST) From: Yong Liang Yang To: chemistry.-at-.ccl.net Subject: Monte carlo docking in constant temperature Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII; format=flowed X-Spam-Status: No, hits=3.0 required=7.5 tests=NO_RDNS2 autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Dear CCL users: I am asking a recommendation of packages or codes which could run Monte Carlo docking in a fixing temperature, say 500k. I would like to use a code which could use temperature as an input parameter. (not simmulated annealing procedure) Any input will be highly appreciated! Cheers Yong --------- Stony Brook