On Fri, Jul 03, 2015, Michael Shokhen wrote:
>
> Unfortunately I failed to find in Amber manual and archive
> a clear example of the command lines how to set the interatomic distance
> restraint
> and to add it to the md.inp script file for productive MD simulation.
These are termed "NMR" restraints (for historical reasons) in Amber jargon.
See Section 24.1 ("Distance, angle and torsion restraints") in the 2015
Amber Reference Manual for details.
....dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Jul 03 2015 - 05:30:03 PDT
