[gmx-users] Partial density versus time
fpoosaneh at gmail.com
Wed Apr 6 16:59:36 CEST 2016
More detail; my system phase-separate after equilibrium, such that each
component reaches two mole (or mass) fractions. One mole fraction at its
rich-phase and one mole fraction at its poor phase. I need to know those
two densities or fractions.
I do not know your way. Could you explain me a bit more.
On Wed, Apr 6, 2016 at 4:45 PM, Negar Ashari Astani <negarastani at gmail.com>
> .... Just a correction: The main plugin I used is " Density profile tool"
> and then for visualization as a volumetric density I used VOLMAP.
> On Wed, Apr 6, 2016 at 4:42 PM Negar Ashari Astani <negarastani at gmail.com>
>> Hello Faezeh,
>> If by density you mean the mass density, you can use VOLMAP plugin of VMD
>> to analyze the density evolution in the course of simulation.
>> If this is what you mean, I'll be happy to help with more information.
>> On Wed, Apr 6, 2016 at 4:30 PM Faezeh Pousaneh <fpoosaneh at gmail.com>
>>> Is it possible to obtain partial density versus time in Gromacs?
>>> I have a system of two components which separate by time. I need the
>>> evolution of density of each phase by time?
>>> Best regards
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