for (1) it all depends on how you set the thermostat temp0, which
thermostat and what coupling constant. no way to predict your data
without that.
On 11/15/09, Jio M <jiomm.yahoo.com> wrote:
>
>
>
>
> Dear Amber users,
>
>
>
> 1) I am performing annealing and want to plot temp vs steps graph ..is
> it neccessary that temp vs steps plot should give
> linear rise or fall of graph of slope 45 degree or it should be linear
> what so ever slope may be ?
>
>
>
> 2) same query as before.. can we solubilize the system with single molecule
> instead of box solvent
>
>
>
> please suggest
>
>
>
> thanks and regards;
>
> Jiomm
>
>
>
>
>
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>
>
>
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>
--
===================================================================
Carlos L. Simmerling, Ph.D.
Professor, Department of Chemistry
CMM Bldg, Room G80 Phone: (631) 632-1336 Fax: 632-1555
Stony Brook University E-mail: carlos.simmerling.gmail.com
Stony Brook, NY 11794-5115 Web: http://www.simmerlinglab.org
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Received on Sun Nov 15 2009 - 11:30:03 PST
