On 11/11/12 9:53 AM, Ali Alizadeh wrote:
Dear All users
I did simulation of water freezind at low temperature(260 k) so that
i was hoped to see
regular structure of ice,
I used OPLS-AA force field, SPC and 100ns,
But i can not see the regular structure of ice(i used vmd for
representation of my simulation)?
In your opinion, Where did i mistake in my simulation?
Where did i mistake in my simulation?
The freezing point of a water model for MD simulation is not necessarily equal
to the actual freezing point of water. See, for instance
http://iopscience.iop.org/0953-8984/17/45/013/pdf/cm5_45_013.pdf. There are
probably other papers, as well, but one can find this easily by Googling
"freezing point of SPC water."
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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