Dear Amber users,
I’ve red CJ Dickson’s thesis (web available) where he stated that “z-constraint PMF method” is not suitable to be handled by sander nor pmemd code. He worked on PET tracers permeability through lipid bilayer. This was stated 2014. and I wonder if something has been done about this issue meanwhile . If the progress has been done could someone help me about this procedure (papers, tutorial,..). I am working with some metal containing drugs and wish to evaluate their ability to diffuse across the membrane layer.In my opinion it is by far best way to evaluate molecular dynamic results using the same code.
Thanks in advance.
Cheers
Zoran
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Received on Sat Feb 06 2016 - 06:00:03 PST
