[gmx-users] free energy perturbation methods in gmx

[RJ]

Dear all,


I have no prior knowledge about free energy perturbation but heard that it is rigorous tool to study the Mutation effects on protein. If so, could tell me whether i can perform free energy perturbation method in gromacs?


or is there any other best to elucidate the enzymatic over-activation caused my Mutant in protein? 


Much appreciated for your valuable suggestion.


 Regards


RJ