Dear Amber users,
I am working with protein-ligand system and I am trying to calculate how
much of hydrophobic surface area (excluding hydrophilic area, if any) of
ligand is exposed to water during the simulation. I am aware of the 'surf'
and 'molsurf' tools in CPPTRAJ. I just wonder whether any of these can be
exclusively used to calculate the hydrophobic region of ligand exposed to
surrounding water environment.
Many thanks in advance
Anu
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Received on Fri Jul 29 2016 - 17:00:02 PDT
