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[lammps-users] Calculation density of water in nanotube
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[lammps-users] Calculation density of water in nanotube


From: Zohreh Ahadi <zohreh.ahadi@...24...>
Date: Mon, 6 Nov 2017 17:06:46 +0330

Dear all,
I would like to calculate the  density of water in nanotubes when the temperature of them are changed, 
in order to calculation of density I used the (mass of water)/volume inside of  Nanotube, but when the water convert to ice again I reach to the same density!!, 1_ how can I fix this problem?
2_ how I can calculate only the volume of water group in nanotubes?
 3_ is it possible I calculated the radial density of water in nanotubes which the center of Nanotube be the origin?

Regards,