Hi everyone,
I have a trajectory of ligand-protein complex.
From visualizing some parts of the trajectory i know that there is a
ligand-water-water-residue interaction in some frames.
I want to select those frames in which this interaction takes place using
hbond command (getting total number of frames in which this occurs is also
required) .
I was able to calculate ligand-water-residue (water bridge) interactions
but unable to get ligand-water-water-residue ones.
Is it possible to get this information with hbond.
I read some old AMBER archives in which Dan has mentioned few things in
this regard but i could not figure out completely, how to go about it in my
case.
Any help will be appreciated.
Regards
Abhilash
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Received on Fri Jan 18 2019 - 06:30:04 PST
