From chemistry-request \\at// ccl.net Mon Jan 12 10:42:19 2004 Received: from ozone.cs.vu.nl (ozone.cs.vu.nl [130.37.24.158]) by servernd.ccl.net (8.12.8/8.12.8) with ESMTP id i0CFgIld011188 for >ccl.net>; Mon, 12 Jan 2004 10:42:19 -0500 Received: from chem.vu.nl (far27.chem.vu.nl [130.37.148.106]) by ozone.cs.vu.nl with esmtp (Smail #87) id m1Ag4DL-000NHLC; Mon, 12 Jan 2004 16:42 +0100 Message-ID: <4002C121.10206<>chem.vu.nl> Date: Mon, 12 Jan 2004 16:45:37 +0100 From: Anton Feenstra >chem.vu.nl> Organization: Vrije Universiteit Amsterdam - Pharmaceutical Chemistry User-Agent: Mozilla/5.0 (Windows; U; Windows NT 5.0; en-US; rv:1.4.1) Gecko/20031008 X-Accept-Language: en-us, en MIME-Version: 1.0 To: CCL posting >ccl.net> Subject: CCL: Multiple Simulations Content-Type: text/plain; charset=us-ascii; format=flowed Content-Transfer-Encoding: 7bit X-Spam-Status: No, hits=0.0 required=7.0 tests=none autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Hi CCL-ers! I've been looking through literature, but was unable to locate papers that rigorously treat how to combine trajectories from multiple simulations of the same system. In principle, one has to assign a (statistical) weight to each of the simulations before taking, e.g., averages over the combination. Can anyone give me a hint or a few pointers? -- Groetjes, Anton _____________ _______________________________________________________ | | | | _ _ ___,| K. Anton Feenstra | | / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam | |( | )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands | | \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610 | | | Feenstra<>chem.vu.nl - www.chem.vu.nl/~feenstra/ | | | "If You See Me Getting High, Knock Me Down" | | | (Red Hot Chili Peppers) | |_____________|_______________________________________________________|