[gmx-users] MM-GB/SA analysis in Gromacs

tarak karmakar tarak20489 at gmail.com
Mon May 12 10:42:55 CEST 2014

Dear Andrea,

I've simulated a protein dimer for a long time span and now I need to
perform MM-PBSA calculations to get the binding free energy between the two
Could you please send me the script to carry out this calculation.
I've read your paper "Exploring PHD Fingers and H3K4me0 Interactions with
Molecular Dynamics Simulations and Binding Free Energy Calculations:
AIRE-PHD1, a Comparative Study".

Thanks a lot,
Molecular Simulations Lab.
Bangalore, India

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