From owner-chemistry@ccl.net Tue Nov 25 01:45:00 2008 From: "Leyla Ramin lram5228%%usyd.edu.au" To: CCL Subject: CCL: Ewald Sum Message-Id: <-38167-081124221431-2594-uF/iNo5GcWLCce+QB+dQNQ[-]server.ccl.net> X-Original-From: "Leyla Ramin" Date: Mon, 24 Nov 2008 22:14:27 -0500 Sent to CCL by: "Leyla Ramin" [lram5228[A]usyd.edu.au] I am PhD student in Sydney university and I am working in molecular dynamic simulation, The codes in fortran language in your website in part:sources, allen-tildesley-book "http://www.ccl.net/cca/software/SOURCES/FORTRAN/allen-tildesley-book/index.shtml>" is so useful for me. In the "FICHE F.22. ROUTINES TO PERFORM THE EWALD SUM" the routine is so complicated to understand the method. I am wondering if I can get more information about this code. Please kindly advise me and thanks for your consideration. Best Regards Leyla Ramin