On Sat, Apr 21, 2012 at 7:36 AM, Acoot Brett <acootbrett.yahoo.com> wrote:
> Thanks Francesco.
>
> I think after we use genion to add certain concentrations of salt in
> GROMACS, even we have use the AMBER force field in the GROMACS, the GROMACS
> will not request us to have "saltcon=0.1" in its mdp file, am I right?
>
>From the sound of it, saltcon is a Debye screening parameter for implicit
solvent treatments of ions. In which case, it is completely unrelated to
explicit solvent calculations. That's how it is for Amber, anyway.
Even though your question deals with the Amber force field, all of your
questions are in regards to the gromacs program suite -- your question is
probably better posed to that list rather than here, as there will almost
certainly be more gromacs users and experts that respond on the gromacs
list.
HTH,
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Sat Apr 21 2012 - 07:30:04 PDT
