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<p>Could you provide a movie or at least snapshots? What about energy of the system? How it changes?</p>
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<p><span class=rvts7>Sorry I am not very good at describing my system. After running the simulation for a while or equilibrating the system all the oxygen molecules move along one wall (a rectangular box with the long side in the z direction and the shorter sides in the x and y direction at the origin) of my periodic boundary condition box. The nitrogen molecules stay fairly evenly distributed in the simulation box. I checked all the parameters and the charges were set to 0. I have about 175.2 g/l nitrogen and 56.5 g/l oxygen in my system. I realize this is higher pressure than atmosphere and have purposely done this.</span></p>
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<p><span class=rvts7>Andy</span></p>
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<p><span class=rvts7>On Tue, Aug 26, 2008 at 5:28 AM, Vitaly Chaban <</span><a class=rvts8 href="mailto:chaban@univer.kharkov.ua">chaban@univer.kharkov.ua</a><span class=rvts7>> wrote:</span></p>
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<p><span class=rvts7>> Using the parameters listed earlier I equalized my system after trying to</span></p>
<p><span class=rvts7>> place the oxygen and nitrogen molecules evenly throughout my system. The</span></p>
<p><span class=rvts7>> result showed the nitrogen molecules fairly even throughout the system but</span></p>
<p><span class=rvts7>> all the oxygen molecules on one side. Any ideas on why the system might not</span></p>
<p><span class=rvts7>> be equalizing out to an even distribution of oxygen by nitrogen?</span></p>
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<p><span class=rvts7>What's the density of O2 and N2 in your system?</span></p>
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<p><span class=rvts7>What's "all the oxygen molecules on one side"? What side?</span></p>
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<p><span class=rvts7>Are you sure no occasional charges are present on some site in your</span></p>
<p><span class=rvts7>system?</span></p>
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<p><span class=rvts9>--</span></p>
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<p><span class=rvts7>Vitaly V. Chaban</span></p>
<p><span class=rvts7>School of Chemistry</span></p>
<p><span class=rvts7>National University of Kharkiv</span></p>
<p><span class=rvts7>Svoboda sq.,4, Kharkiv 61077, Ukraine</span></p>
<p><span class=rvts7>email: </span><a class=rvts8 href="mailto:chaban@univer.kharkov.ua">chaban@univer.kharkov.ua</a></p>
<p><span class=rvts7>skype: vvchaban</span></p>
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<p><span class=rvts10>-- </span></p>
<p><span class=rvts10>Vitaly V. Chaban</span></p>
<p><span class=rvts10>School of Chemistry</span></p>
<p><span class=rvts10>National University of Kharkiv</span></p>
<p><span class=rvts10>Svoboda sq.,4, Kharkiv 61077, Ukraine</span></p>
<p><span class=rvts10>email: </span><a class=rvts11 href="mailto:chaban@univer.kharkov.ua">chaban@univer.kharkov.ua</a></p>
<p><span class=rvts10>skype: vvchaban</span></p>
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