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 [email protected] > 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 [email protected]. > 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: [email protected] Homepage: http://www.icp.uni-stuttgart.de/~icp/Florian_Dommert Tel.: +49 - (0)711 - 68563613 Fax.: +49 - (0)711 - 68563658
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