[gmx-users] binding energy or energy barrier

kordzadeh at aut.ac.ir kordzadeh at aut.ac.ir
Fri Nov 16 13:28:20 CET 2018

​Hi all
I have done umbrella sampling analysis, a drug was pulled towards the CNT ans encapsulated, then the PMF was calculated, I want to know what is the PMF in this case, is it binding energy or energy barrier against encapsulation?
Looking forward to hearing from you
Best regards

This email was Anti Virus checked by  Security Gateway.

More information about the gromacs.org_gmx-users mailing list