From chemistry-request $#at#$ server.ccl.net Tue Aug 31 14:44:14 1999 Received: from Ba.Chem.UH.EDU (Ba-el0.Chem.UH.EDU [129.7.190.40]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id OAA05134 for ; Tue, 31 Aug 1999 14:44:13 -0400 Received: (from beck -x- at -x- localhost) by Ba.Chem.UH.EDU (8.9.2/8.9.2) id NAA06067; Tue, 31 Aug 1999 13:33:45 -0500 (CDT) From: "Brian W. Beck" Message-Id: <199908311833.NAA06067 _-at-_)Ba.Chem.UH.EDU> Subject: Re: CCL:MD text To: desingh {*at*} syr.edu (Deepak Singh), CHEMISTRY ^%at%^ server.ccl.net (Computational Chemistry List) Date: Tue, 31 Aug 1999 13:33:45 -0500 (CDT) In-Reply-To: <37CB6F4E.28A2D5FB*- at -*syr.edu> from "Deepak Singh" at Aug 31, 1999 01:59:42 AM Reply-to: "Brian W. Beck" Operating-System: OSF1 V4.0 1229 Organization: Institute for Molecular Design, University of Houston Phone: 713-743-3264 FAX: 713-743-2709 X-Mailer: ELM [version 2.5 PL0] MIME-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Deepak Singh wrote: > > Hi Folks, > > Can someone suggest an advanced text which covers MD simulations > (particularly for proteins) and covers a broad range of aspects aspects > incl. algorithms, trajectory evaluation, important results etc. > I think McCammon and Harvey while good is a little dated, while the > book "Computer Simulations of liquids" is out of print and impossible to > get hold of through any means at my disposal. Rappaport is the other > one I have looked at and it is not quite what I am looking for. > > Molecular Dynamics Simulations: Elementary Methods by Haile Molecular Modelling:Principles and Applications by Leach Understanding Molecular Simulation: From Algorithms to Applications by Frenkel & Smit Computer-Aided Molecular Design: Theory and Applications by Doucet & Weber -Brian -- ============================================================== | Brian W. Beck |E-mail Address: beck;at;uh.edu | | Inst. Molec. Design| | | Univ. of Houston |URL: | | 220 Fleming |http://www.chem.uh.edu/pettitt/beck | | Houston, TX, USA |VOICE (713) 743-3264 | | 77204-5641 |FAX (713) 743-2709 | ==============================================================