[modeller_usage] hydrogen bonds with water at the interface
To:
Subject: [modeller_usage] hydrogen bonds with water at the interface
From: bcuevas <>
Date: Thu, 15 Jun 2017 13:13:24 +0200
Dear mr/mrs
I am using Modeller to include mutations in the interface of
protein-protein complexes. One of the crucial parts of my work here is
to characterize and improve the available methods including water at the
interface, and I wanted to use the restraints related with hydrogen bond
energy since I think they are very important in this. However, I can not
find in the documentation how to use the Physical.h_bonds as a
restraint, since I don't know how this energy function is defined and
what is its input.