[gmx-users] Maxwell-Stefan diffusion coefficient

Rasoul Nasiri nasiri1355 at gmail.com
Fri Jul 12 22:23:50 CEST 2013

Hello all,

Is it possible one can calculate molecular diffusion of multi-component
systems in the gas phase by GROMACS?

This quantity is very important in evaporation of fluids when liquid and
vapour phases are in quasi-equilibrium state.

Any help would be highly appreciated?


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