[gmx-users] artificial stabilization of helical content

Germana Paterlini germana at certusoft.com
Mon Nov 29 17:06:33 CET 2004

The AMBER force field (PARM96) is known for overestimating the helical conformation.
Corrections have been made by modifying the phi/psi dihedral potentials.
What is the behavior of GROMOS96 with respect to the helical conformation?
When comparing simulations with experimental data (i.e CD), what % error one should expect (10%, 30%)?
I am assuming that artifacts from PME periodicity have been eliminated.


Germana Paterlini

Germana Paterlini, Ph.D.
Certusoft, Inc.
Minneapolis, MN 55439
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