Dear all,
I want to calculate potential of mean force using Umbrella Sampling where a
molecule is both rotating and translating around a helical axis. However, I
am not sure how to give the restraint using Amber as the atoms of the helix
do not lie on the helical axis. Can anyone help me in defining this kind of
restraint?
Thanks a lot.
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Received on Sun Sep 25 2016 - 07:30:03 PDT
