AMBER Archive (2007)

Subject: Re: AMBER: How to place torsion restraint

From: Gustavo Seabra (gustavo.seabra_at_gmail.com)
Date: Tue Feb 13 2007 - 10:48:08 CST

You can use 'nmropt=1', and include the restraints in the &rst
namelist, inside the DISANG file. Look in the Amber manual in section
5.6.1 for NMROPT and section 6.12.1: "Distance, Angle and Torsional
Restraints".

Gustavo.
P.S.: the section numbers might not be correct.

On 2/12/07, Seth Lilavivat <sethl_at_gatech.edu> wrote:
> Dear Amber Community,
>
> What is the best way to place a torsion restraint? For example, I would like to
> hold a couple of NA bases in a syn conformation.
>
> Thanks,
> Seth
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