[AMBER] restraining a peptide to devoid of any secondary structure

From: Vlad Cojocaru <vlad.cojocaru.mpi-muenster.mpg.de>
Date: Wed, 2 Oct 2019 16:11:06 +0200

Dear all,

Is there an elegant way to prevent the formation of any secondary
structure during a peptide simulation using AMBER ? Restraining every
phi/psi torsion would be a way, but I am wondering if there is any other
more simple way to do it ....

Thanks for any suggestions


Vlad Cojocaru, PD (Habil.), Ph.D.
Project Group Leader
Department of Cell and Developmental Biology
Max Planck Institute for Molecular Biomedicine
Röntgenstrasse 20, 48149 Münster, Germany
Tel: +49-251-70365-324; Fax: +49-251-70365-399
Email: vlad.cojocaru[at]mpi-muenster.mpg.de
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Received on Wed Oct 02 2019 - 07:30:02 PDT
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