[gmx-users] g_msd mutual diffusion coefficient

Luis Martins lfgm at uevora.pt
Thu May 26 16:35:37 CEST 2011

Dear colleagues
I'd like to know if it is possible to calculate  

 of a solute in a binary mixture, in order to obtain Maxwell-Stefan diffusion coefficient, using g_msd from Gromacs.

Can anyone tell something about that?


Best regards

Luís Martins

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