ntcnstph is the number of MD steps between each MC step.
-Bill
On Wed, Jun 30, 2010 at 1:37 AM, nicholus bhattacharjee <
nicholusbhattacharjee.gmail.com> wrote:
> Dear community,
> I have some query with the input file (.in) for
> constant pH MD simulation. The *ntcnstph* flag is for the number of MC
> steps
> or the number of MD steps after which MC is run? If it is the former then
> which flag specifies the number of MD steps after which MC steps will
> follow? The answer to these questions are not very much clear from the
> manual. Thank you in advance.
>
> --
> Nicholus Bhattacharjee
> PhD Scholar
> Department of Chemistry
> University of Delhi
> Delhi-110007 (INDIA)
> Phone: 9873098743(M)
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>
--
Bill Miller III
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-6715
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Received on Wed Jun 30 2010 - 07:00:06 PDT
