OK. Thanks for reply
On 2014-05-27 19:12, Daniel Roe wrote:
> 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 _______________________________________________ AMBER mailing list AMBER.ambermd.org http://lists.ambermd.org/mailman/listinfo/amber [1]
>
> --
> -------------------------
> 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/ [2]
> (801) 587-9652
> (801) 585-6208 (Fax)
>
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> http://lists.ambermd.org/mailman/listinfo/amber [1]
--
Sangita Kachhap
SRF
C/O Dr. Balvinder Singh
BIC
IMTECH
Links:
------
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[2] http://home.chpc.utah.edu/~cheatham/
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Received on Tue May 27 2014 - 09:30:02 PDT
