Free Energy Perturbation method?

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Dmitri Kireev

FEP can be performed using GROMACS.

http://www.gromacs.org/@api/deki/files/262/=gromacs-free-energy-tutorial.pdf

Sayyed Jalil Mahdizadeh

Thanks you Dmitri, it was a great help.

Martin Klvana

Q: https://github.com/qusers/Q6

Thank you so much dear Samee,

I need to to do FEP analysis for a set of thousands congeneric ligands against a receptor. Which tool would you recommend?

Perfect, many thanks Samee.