[gmx-developers] Jarzinsky Relationship in Gromacs

Pablo Martin De Biase pablodebiase at qi.fcen.uba.ar
Mon Sep 24 22:25:21 CEST 2007

Is Gromacs able to calculate the work and forces of a restrained bond (a NMR
restrain) moved with a constant rate between two distances to create
Jarzinsky profiles just as Amber does? If not, which subroutine you
recommend I should modify to do this?

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