VMD-L Mailing List

From: Víctor (victor.gil.sepulveda_at_gmail.com)
Date: Thu Jul 19 2012 - 07:17:54 CDT

I mean the superposition algorithm for rmsd calculation. In a script the
command would be measure fit if i'm not wrong.

On Thu, Jul 19, 2012 at 1:55 PM, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:

> On Thu, Jul 19, 2012 at 12:06 PM, Víctor <victor.gil.sepulveda_at_gmail.com>
> wrote:
> > Dear All,
> >
> > I've been playing around with a C++ implementation of a superposition
> > algorithm. When I've compared the results with VMD, I've noticed that
> those
> > are different, but equal to other implementations of the same algorithm
> I'm
> > using, so my code is correct.
> >
> > Does anybody know which superposition algorithm is VMD using?
>
> can you be a bit more specific about what "superposition"
> you are talking about. i.e. which commands exactly you
> are running in VMD.
>
> thanks,
> axel.
>
> >
> > Thanks!
> >
> > --
> >
> > Víctor Gil Sepúlveda
> > E. Informatica - FIB - UPC
>
>
>
> --
> Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0
> International Centre for Theoretical Physics, Trieste. Italy.
> 

-- 
Víctor Gil Sepúlveda
E. Informatica - FIB - UPC