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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jan 18 2017 - 21:30:03 PST
