since your constant pH calculations are performed in implicit water,
it's not practical to use explicit ions.
On Fri, Sep 24, 2010 at 8:33 AM, nicholus bhattacharjee
<nicholusbhattacharjee.gmail.com> wrote:
> Dear community,
> 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). Thank you for the reply.
>
> --
> Nicholus Bhattacharjee
> PhD Scholar
> Department of Chemistry
> University of Delhi
> Delhi-110007 (INDIA)
> Phone: 9873098743(M)
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Received on Fri Sep 24 2010 - 06:00:10 PDT
