-------- Forwarded Message -------- From: Sanku M <msank...@yahoo.com> Reply-to: Sanku M <msank...@yahoo.com> To: Dommert Florian <domm...@icp.uni-stuttgart.de> Subject: Re: [gmx-users] BD with Hydrodynamic interactions? Date: Mon, 26 Sep 2011 04:07:38 -0700 (PDT)
> I did not mean lattice boltzmann by BD. > By BD I meant Brownian Dynamics. In general, for accuracy in dynamics, > one uses hydrodynamic interaction in brownian dynamics simulation. I > was wondering whether hydrodynamic interaction is invoked in gromacs > implementation of brownian dynamics simulation. Please keep correspondence on the mailing list. So how do want to include hydrodynamic interactions into BD ? I think the Lattice-Boltzmann method is a way to do this isn't it ? /Flo ________________________________________________________________________ From: Dommert Florian <domm...@icp.uni-stuttgart.de> To: Sanku M <msank...@yahoo.com>; Discussion list for GROMACS users <gmx-users@gromacs.org> Sent: Monday, September 26, 2011 3:38 AM Subject: Re: [gmx-users] BD with Hydrodynamic interactions? On Sun, 2011-09-25 at 14:03 -0700, Sanku M wrote: > Hi, > I was wondering whether BD simulation integrator in Gromacs also > have option of including hydrodynamic interactions. Hello, I do not think, that Gromacs has something like Lattice-Boltzmann implemented so far. Furthermore you would need a momentum-conserving method for the calculation of the electrostatic forces, which is not given with the analytical differentiation of SPME, that conserves only energy and not momentum. /Flo > Sanku > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- Florian Dommert Dipl. - Phys. Institute for Computational Physics University Stuttgart Pfaffenwaldring 27 70569 Stuttgart EMail: domm...@icp.uni-stuttgart.de Homepage: http://www.icp.uni-stuttgart.de/~icp/Florian_Dommert Tel.: +49 - (0)711 - 68563613 Fax.: +49 - (0)711 - 68563658 -- Florian Dommert Dipl. - Phys. Institute for Computational Physics University Stuttgart Pfaffenwaldring 27 70569 Stuttgart EMail: domm...@icp.uni-stuttgart.de Homepage: http://www.icp.uni-stuttgart.de/~icp/Florian_Dommert Tel.: +49 - (0)711 - 68563613 Fax.: +49 - (0)711 - 68563658
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