On 5/2/13 12:38 AM, Mohan maruthi sena wrote:
Hi all,
I have system consisting of a peptide(alpha-helix), I want the
peptide to be surrounded by magnesium ions(instead of water). How can i do
this gromacs? How can I find the concentration of magnesium ions. just like
in solution we have 0.5 Molar Mg+2 solution, My question how can find
concentration by increasing number of ions.
I don't fully understand what you're trying to do, especially in the absence of
solvent, but I'll venture some simple advice. Concentration is just the number
of moles per unit volume. Simple unit conversion exercises will tell you how
many ions are needed to achieve whatever target concentration you're looking for.
-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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