[gmx-users] interpretation of force in pulling simulation

kordzadeh at aut.ac.ir kordzadeh at aut.ac.ir
Sat Jul 28 20:57:48 CEST 2018

​Hi all
I 've translocated drug molecule into the different carbon nanotubes in a pulling simulation and the force was obtained , can I tell that the case that has maximum difference force at CNT end, has minimum energy barrier?
In real I can't find relationship between this force and energy barrier at the CNT end. please guide me about this subject
Thanks in advance

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