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since September 20, 2004
since September 19, 2004
PFMD is a command line software that simulates the liquid state
of a polarizable fluid by means of a dissociable potential applied in a
Molecular Dynamics algorithm using periodic boundary conditions to emulate
infinite spatial extension. Long range interactions are treated with the
Ewald sums tecnique.
Its ugly name stands for Polarizable Fluids Molecular Dynamics. If you think the author ran out of fresh ideas, you're definitely right.
Currently supported molecules are:
PFMD is distributed under the GNU General Public Licence in source form only. You can grab it from the downloads section or from its project page on SourceForge. Note that the software is still in a pre-release state and as such the accuracy of results cannot be guaranteed.
PFMD is written in Fortan90. If there is no Fortran9x compiler available on your site, you can download a free one for your platform from this site. If you are working on an Intel Pentium (or compatible) platform, you might want to try their high performance compiler and above all their venerable ifort for Linux, which really rocks and is free of charge for personal use.