[gmx-users] Perturbation free energy

m g dr_m_ganj at yahoo.com
Sat Aug 3 13:34:38 CEST 2019


 Dear Justin,I studied your tutorial entitle "Free Energy Calculations: Methane in Water", but I want to know how to calculated free energy based on perturbation theory? I have a drug with a carrier at water medium and I want to calculate free energy but I don't know which kinds of these methods must be used? Thanks,Ganj


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