Re: [AMBER] Fwd: RESTARTED DUE TO LINMIN FAILURE

From: David A Case <david.case.rutgers.edu>
Date: Sat, 26 Sep 2020 08:21:38 -0400

On Fri, Sep 25, 2020, Maschietto, Federica wrote:
>
>I would like to run a MD simulation constraining backbone dihedrals such
>that my complex is able to relax but does not deviate too much from the
>original structure.

Dihedral restraints are called "NMR" restraints in Amber. See Section
27.1 ("Distance, angle and torsional restraints") in the Reference Manual.

....dac


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Sep 26 2020 - 05:30:02 PDT
Custom Search