[gmx-users] binding energy or energy barrier

[kordzadeh at aut.ac.ir]

​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
Azadeh

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