Dear All
I am trying to modiy the gradient of a FF energy function during a conjugate
gradient search using the AddGradient() function. Basically, it seems that
it's impossible to use any protected member functions from Python, since I
get the following error message:
AttributeError: 'OBForceField' object has no attribute 'AddGradient'
This is also the case when I try GetGradient, another protected function. Is
there any way to get around this issue?
Best regards.,
Kasper Thofte
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