[gmx-users] Binding free energy calculation

KRISHNA PRASAD GHANTA chemkrish18 at iitkgp.ac.in
Thu Nov 22 07:28:08 CET 2018


Dear gmx user 
   I am working on protein ionic liquid interaction. I am trying to calculate the binding free energy of ionic liquid (system contain ~ 100 ionic liquid molecule). Is there any way to calculate the binding free energy in pre processing stage of post processing stage. 


More information about the gromacs.org_gmx-users mailing list