From owner-chemistry@ccl.net Tue Jan 20 04:15:01 2009 From: "Lukasz Cwiklik cwiklik : gmail.com" To: CCL Subject: CCL: Water Molecule Simulation Message-Id: <-38464-090120040544-24809-jHTzCSFHZ8ys4bEkCZBC+g||server.ccl.net> X-Original-From: Lukasz Cwiklik Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-1 Date: Tue, 20 Jan 2009 11:01:38 +0200 MIME-Version: 1.0 Sent to CCL by: Lukasz Cwiklik [cwiklik+*+gmail.com] On Mon, Jan 19, 2009 at 12:43 PM, Leyla Ramin l.ramin,,aeromech.usyd.edu.au wrote: > Hello, > Thanks for your reply, However I have problem with Tinker installation, Would you please send me the code of water simulation. > > Kind Regards > Leyla Ramin Hi, I do know exactly what do you mean, if you need an example input for water simulation you can find it in Tinker "test" subdirectory, eg. "test/water.*" - files for a single H2O molecule, and "test/watertiny.*" - for 81 water box. Best, Lukasz -- Lukasz Cwiklik http://cwiklik.wordpress.com