[gmx-users] transition rate calculation

Lábas Anikó labasaniko at gmail.com
Thu Aug 6 10:56:54 CEST 2015

Dear Gromacs Users,

Can You offer me any Gromacs tool which is intended to calculate reaction
rate constant 'k' in mol/s? (For example the transitions of gas molecules
from solvent to the protein and vice versa, using a given trajectory)

Thank You in advance!


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