From owner-chemistry@ccl.net Sun Nov 8 13:11:01 2015 From: "Susi Lehtola susi.lehtola\a/alumni.helsinki.fi" To: CCL Subject: CCL: Question regarding availability of a simulation code Message-Id: <-51867-151108110651-28893-qYPvde3Cql8hH/nWrZi9Rg---server.ccl.net> X-Original-From: Susi Lehtola Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=utf-8; format=flowed Date: Sun, 8 Nov 2015 08:06:38 -0800 MIME-Version: 1.0 Sent to CCL by: Susi Lehtola [susi.lehtola\a/alumni.helsinki.fi] On 11/06/2015 10:04 PM, Rakesh Srivastava allahabad.21::gmail.com wrote: > Dear scholars, > I want to know, is there any MD code available which can simulate a > system of spherical particles which interact via hard sphere and > electrostatic potential. > Thanks in advance. For instance GROMACS (http://www.gromacs.org) can do this, you'd just probably have to use a tabulated potential for your calculation. There was some discussion on the mailing list a few years ago http://comments.gmane.org/gmane.science.biology.gromacs.user/36201 -- ----------------------------------------------------------------------- Mr. Susi Lehtola, PhD Chemist Postdoctoral Fellow susi.lehtola---alumni.helsinki.fi Lawrence Berkeley National Laboratory http://www.helsinki.fi/~jzlehtol USA -----------------------------------------------------------------------