Hi everyone,
I'm currently trying to calculate the number of water molecules
in the minor groove of a DNA molecule, has anybody performed
this before or seen a reference for this? I can use watershell in cpptraj
to count the molecules within a certain distance of the whole molecule or
certain atoms I can choose but I'm not sure of how to characterize the minor
groove to use this function.
Regards,
Sebastian
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Received on Wed Mar 22 2017 - 13:00:03 PDT
