What is the density of system comprising of GOLD surface+peptide+water in molecular dynamics?

02 March 2017 1 3K Report

In system consisting of GOLD (Au) surface+protein+water, the gold atoms are fixed during simulation. What is the approximate density during NPT runs for such systems? Is it greater than the peptides solvated in water (1 g/cm^3)?

Orkid Coskuner

what is the Volume and density value for water molecules out of your NPT simulation? The answer is based on the temperature and pressure you are using to calculate the density.

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