From alper@moldyn.com Thu Jan 11 19:17:48 1996 Received: from netcomsv.netcom.com for alper@moldyn.com by www.ccl.net (8.6.10/950822.1) id TAA24894; Thu, 11 Jan 1996 19:04:54 -0500 Received: from moldyn.com by netcomsv.netcom.com with UUCP (8.6.12/SMI-4.1) id PAA02859; Thu, 11 Jan 1996 15:44:40 -0800 Received: by bart.moldyn.com (940816.SGI.8.6.9/940406.SGI.AUTO) id SAA12453; Thu, 11 Jan 1996 18:22:11 -0500 From: alper@moldyn.com (Howard Alper) Message-Id: <199601112322.SAA12453@bart.moldyn.com> Subject: CCL:electrostatic cutoffs in lipid bilayers To: CHEMISTRY@www.ccl.net Date: Thu, 11 Jan 1996 18:22:07 -0500 (EST) Cc: alper@netcom.com (Howard Alper) Reply-To: alper@moldyn.com X-Mailer: ELM [version 2.4 PL22] MIME-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 7bit Content-Length: 1235 Hi, Yat-Ting Wong writes > Dear Colleagues, > > I have the following questions. > > In the past, the electrostatic cutoffs in protein modelling are about 8 > to 10 Angstrom. However, in the lipid bilayers, in order to reproduce > the experimental results, the cutoffs have to be increased to 30 A. Would > you refer me to the correct references concerning the simulation of lipid > bilayers with long electrostatic cutoff ? Are there any molecular modeling > that requires a cutoff greater than 30 Angstrom ? > > Thanks. > > > > Regards, > > Yat-Ting Wong > The articles referred to, concerning the use of 30 angstrom cutoffs in simulations of lipid bilayer systems, are as follows: 1) H. E. Alper, D. Bassolino, and T. R. Stouch, J. Chem. Phys. 98 (12), 9798 (1993) 2) H. E. Alper, D. Bassolino, and T. R. Stouch, J. Chem. Phys. 99 (7), 5547 (1993) Anyone interested in reprints of these, or other articles dealing with diffusion of solutes through lipid bilayers, can send me their address information. Howard Alper -- Dr. Howard Alper Moldyn Inc. 1033 Massachusetts Avenue Cambridge, MA 02138 617-354-3124 x19 - helping molecules find happiness for over a 10th of a century.