Molecular simulation
in [Matlab]
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From: Stanley on 23 Feb 2010 13:53 I am looking for MATLAB code for molecular simulation including graphical output that I can use in class and with a textbook I am writing. I want to use simple spheres (hard spheres, Lennard-Jones and square-well potentials) in both MC and MD. I am willing to modify existing programs to meet my needs, but I do not feel comfortable enough with MATLAB or have enough time to start from scratch. Any suggestions? Stan Sandler
From: Todd on 25 Feb 2010 10:34 "Stanley " <sandler(a)udel.edu> wrote in message <hm186g$b9c$1(a)fred.mathworks.com>... > I am looking for MATLAB code for molecular simulation including graphical output that I can use in class and with a textbook I am writing. I want to use simple spheres (hard spheres, Lennard-Jones and square-well potentials) in both MC and MD. I am willing to modify existing programs to meet my needs, but I do not feel comfortable enough with MATLAB or have enough time to start from scratch. Any suggestions? > Stan Sandler Hi Stan, Here are a handful of resources which could be interesting: http://www.mathworks.com/products/bioinfo/demos.html?file=/products/demos/shipping/bioinfo/molviewerdemo.html http://people.sc.fsu.edu/~burkardt/m_src/md/md.html http://ocw.mit.edu/OcwWeb/Chemical-Engineering/10-34Fall-2006/CourseHome/index.htm Regards, todd
From: Stanley on 28 Feb 2010 19:52 "Todd " <todd.atkins(a)mathworks.com.remove> wrote in message <hm659s$k6c$1(a)fred.mathworks.com>... > "Stanley " <sandler(a)udel.edu> wrote in message <hm186g$b9c$1(a)fred.mathworks.com>... > > I am looking for MATLAB code for molecular simulation including graphical output that I can use in class and with a textbook I am writing. I want to use simple spheres (hard spheres, Lennard-Jones and square-well potentials) in both MC and MD. I am willing to modify existing programs to meet my needs, but I do not feel comfortable enough with MATLAB or have enough time to start from scratch. Any suggestions? > > Stan Sandler > > Hi Stan, > > Here are a handful of resources which could be interesting: > > http://www.mathworks.com/products/bioinfo/demos.html?file=/products/demos/shipping/bioinfo/molviewerdemo.html > > http://people.sc.fsu.edu/~burkardt/m_src/md/md.html > > http://ocw.mit.edu/OcwWeb/Chemical-Engineering/10-34Fall-2006/CourseHome/index.htm > > Regards, > todd Hi Todd: Thanks for the response. The MATHWORKS link is to something much to complicated for my needs. I am interested in simple MATLAB programs for hard spheres, square wells and LJ fluids just to demonstrate the ideas. Most of the other programs are in Fortran, and I am not a sufficiently sophisticated MATLAB programmer to do the conversion, build the interface, etc. But thanks for the suggestions. Stan
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