On Fri, Sep 24, 2010, nicholus bhattacharjee wrote:
> Since we use a salt concentration for input file
> in constant pH MD simulation do we need to neutralize the system with NA+ or
> Cl- ions (depending upon the system charge).
No. More generally, you do not want to add explicit ions for any implicit
solvent model, whether or not you are using constant pH.
....dac
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Received on Fri Sep 24 2010 - 06:00:12 PDT
