Jones de Andrade
johannesrs at gmail.com
Sun May 20 07:22:23 CEST 2007
Well, a few days ago I've written a message concerning the future
implementations that could be expected min gromacs 4 when it's released.
Unfortunatelly, the thread hasn't gone any further.
So, I would like to know if there is somone in this list who ever tried to
modify gromacs program forces and energies routines. More specifically, if
someone has tried to somehow implement any polarizability model in the force
field, other than the "shells" model.
I'm deeply interested in it.
Thanks a lot in advance, sincerally yours,
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