Re: [AMBER-Developers] [AMBER] &rst + distance + coordinate restraint

From: Jason Swails <jason.swails.gmail.com>
Date: Tue, 3 Nov 2015 13:36:45 -0500

On Tue, Nov 3, 2015 at 1:16 PM, Adrian Roitberg <roitberg.ufl.edu> wrote:

>
>
>
> > ​There is nothing you can do with the "natural language" restraints that
> > you can't do with the iat, igr1-8, and rstwt variables to my knowledge.
> > Someone please correct me if I'm mistaken!
> >
> > Torsions and angles are handled just fine.
> >
> > All the best,
> > Jason
> > ​
> Not quite
>
> natural language restraints can do point/plane, plane/plane


​You can do this with iat and igr as well. It's right in the docs ;).



> and a number
> of other nifty tricks.


​Which nifty tricks? :) It wouldn't surprise me if there *was* something
supported by natural language that's not supported with iat/igr, but I have
yet to see one and I'm curious as to what else can be done with these
restraints...


-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Tue Nov 03 2015 - 11:00:04 PST
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