[Chimera-users] Hydrogen bond energy calculation
adi.uoh at gmail.com
Wed May 23 20:57:07 PDT 2012
Dear Chimera users,
I want to calculate the "energy or force" exerted between amino
acid residues interacted by Hydrogen bonds throughout a total trajectory
from MD simulation of a protein performed using Amber 10.
(Example: H-bond between Isoleucine17-Asp15, Asp15-Ile46, Ile46-His13 etc,
I want to calculate the H-bond interaction energy between these pair of
residues and hence the net energy).
I searched in the tutorials and literature but could not able to find any
appropriate solutions. If anyone has the idea, please assist me finding the
solution of this problem.
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