[AMBER] Lifetime structural waters CPPTRAJ error

From: Pedro Miguel Reis Figueiredo <pmrfigueiredo.cnc.uc.pt>
Date: Thu, 24 Jan 2019 12:24:10 +0000



I am running some analysis on lifetime of structural waters. I
need to know which waters (from solvent - TIP3PBOX) are performing
bridge bonds with residues responsible to keep the protein structure.

I have followed the tutorial "Hydrogen bond analysis with CPPTRAJ" by
Daniel Roe but cannot find the ID of waters that are performing such
bonds in the output files..

Is there any command to get the waters ID?

Thank you in advance.
AMBER mailing list
Received on Thu Jan 24 2019 - 04:30:01 PST
Custom Search