Hi,
On Mon, May 26, 2014 at 12:47 AM, Sangita Kachhap <sangita.imtech.res.in> wrote:
>
>
> Hello everyone
>
> I have to do MD simulation at pH 5 and temperature range 50-55 degree
> Celsius
> Is it possible, to do MD simulation at constant pH and temperature range
> 50-55 degree Celsius simultaneously?
Check out chaper 22, "Constant pH calculations" in the Amber 14 manual.
Good luck,
-Dan
>
> With regards
>
> --
> Sangita Kachhap
> SRF
> C/O Dr. Balvinder Singh
> BIC
> IMTECH
>
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--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Tue May 27 2014 - 07:00:04 PDT
