From chemistry-request*- at -*server.ccl.net Tue Mar 18 10:21:12 2003 Received: from pscuxc.psc.edu ([128.182.66.177]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id h2IFLCw23970 for ; Tue, 18 Mar 2003 10:21:12 -0500 Received: from pscuxc.psc.edu (localhost.psc.edu [127.0.0.1]) by pscuxc.psc.edu (8.12.8/8.12.5) with ESMTP id h2IFLCg2025677 for ; Tue, 18 Mar 2003 10:21:12 -0500 (EST) Received: from localhost (wymore- at -localhost) by pscuxc.psc.edu (8.12.8/8.12.8/Submit) with ESMTP id h2IFLBG2025854 for ; Tue, 18 Mar 2003 10:21:12 -0500 (EST) Date: Tue, 18 Mar 2003 10:21:11 -0500 (EST) From: Troy Wymore To: Subject: NAMD: Looping through input file Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hello, I would like to be able to run a 500 ps simulation using NAMD but have the ouput files divided up into 20 ps sections and numbered consecutively. I'm not sure how to setup my input file to accomplish this easy task (sorry, new to tcl scripts) with just one config file. So basically I need some help with how to loop through an input file with NAMD. Any help is much appreciated. Best regards, Troy Wymore