From: Jeff Comer (jeffcomer_at_gmail.com)
Date: Wed Oct 24 2018 - 15:50:32 CDT
"If I am measuring water density (mass of water /(volume of the system
-volume of silicon nitride)), then it gives 1 g/cm^3"
This sounds like the correct way to calculate the density of water. And you
get the correct answer. I'm not sure what the problem is.
Silicon nitride has a higher mass density than water (
https://en.wikipedia.org/wiki/Silicon_nitride ), so if you include it in
the calculation you will get a density in between the density of water and
the density of silicon nitride.
Jeffrey Comer, PhD
Institute of Computational Comparative Medicine
Nanotechnology Innovation Center of Kansas State
Kansas State University
Office: P-213 Mosier Hall
On Wed, Oct 24, 2018 at 2:11 AM Mani Kandan <manikandand5110_at_gmail.com>
> Dear all,
> I solvated silicon nitride nanopore and ran NPT simulation for 1
> ns. I measured the density of the system, it shows as 1.9g/cm^3. It has to
> give standard density of 1g/cm^3. What is the reason for deviating from
> standard density? If I am measuring water density (mass of water /(volume
> of the system -volume of silicon nitride)), then it gives 1 g/cm^3. Can I
> take this system reaches standard density or not? If not then what can I do
> get standard density.
> MANIKANDAN D
This archive was generated by hypermail 2.1.6 : Mon Nov 18 2019 - 23:20:10 CST