[gmx-users] on direction of pull.ppa

[Xu Yong]

hi, all

now I do some AFM pulling work. I add the parameter to pull.ppa, but there are two parameters I can't understand. 

direction   = 0.0 0.0 1.0
r0_group2   = 0.0 0.0 3.30
I select AFM as runtype parameter
what is the meaning of those number. If given the coordinate of center of mass of two groups (reference_group and group_1), how to calculate and fill the direction and r0_group2 parameter.

thanks you for answer 

	                                  
Best Regards 				

Xu Yong

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