[gmx-users] g_msd additional information

[dakoenig]

Dear GROMACS Experts,

I am using GROMACS to simulate the self-diffusion coefficient of a wide
range of pure systems (e.g. alkanes).

Unfortunately the information given in the manual regarding g_msd and its
exact calculation in GROMACS is insufficient for me.

Does somebody got some idea of papers/additional information/books for this
topic?

I am especially interested in the calculation of the error bar.

Thank you!



--
View this message in context: http://gromacs.5086.n6.nabble.com/g-msd-additional-information-tp5003684.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.