[AMBER] Regarding trajectory analysis

From: Debodyuti Dutta <dutta.debodyuti.gmail.com>
Date: Thu, 19 Jan 2017 10:54:48 +0530

Dear Amber users,

I have a simulation of a metalloenyme. coordination of the metal with
waters is important. In my simulation, I see different water molecules
coordinate to metal at different times.
I want to print out the residue number of all the water molecules that
come WITHIN 4 angstrom of the metal. How to do that with cpptraj? Thanks
in advance.

*Debodyuti Dutta*
Research Scholar
Indian Institute of Technology Kharagpur
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Received on Wed Jan 18 2017 - 21:30:03 PST
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