[gmx-users] Iterative Boltzman Inversion

Maryam Sadeghi maryam.sadeghi.90 at gmail.com
Sat Nov 2 00:31:05 CET 2019


Dear All,

I was wondering if there are any codes in GROMACS for doing Iterative
Boltzman Inversion to reproduce the target pair distribution functions for
a MARTINI coarse grained structure given by atomistic simulations?

Best
Maryam


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