[gmx-users] Umbrella sampling and transmission coefficient

gozde ergin gozdeeergin at gmail.com
Tue Aug 18 14:14:33 CEST 2015


Dear user,

I did umbrella sampling simulation and get PMF profile of my system.
In order to calculate the rate constant I need to estimate the transmission
coefficient.

Do you have any advice about getting the transmission coefficient in
GROMACS?

Best


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