Re: NOESY restraints

From: Steph <steletch.free.fr>
Date: 21 Jun 2003 12:27:35 +0200

Le sam 21/06/2003 à 02:49, David A. Case a écrit :
> On Fri, Jun 20, 2003, Teletchéa Stéphane wrote:
> >
> > Namelist reports error in reading noeexp
> > -- Subscript out of range implies dimensioning
> > problem
> > -- (see nmr.h and sizes.h, SIZE_NMR_PCY if nmr stuff)
> >
> > I've compiled amber several times nmr.h and sizes.h
> > increasing parameters, but error is still there...
>
> The message does not necessarily mean that you have a dimensioning error; that
> is just one of several possibilities. I don't see anything wrong with
> your input, but it wasn't all there.
>
> The usual thing is to build ever-larger RST files, starting with something
> very small that gets accepted, and figuring out from there what the
> problem is. You might also try to run on other systems that give better
> error reporting.
>
> ..good luck...dac

This is what i tried already before posting, but i always get the same
error message.

Examples were taken from the amber 6 manual.

how can i trace the error ? (any debugging funciont in noesy.f ?)

Stéphane T
-- 
Steph <steletch.free.fr>
Received on Sat Jun 21 2003 - 11:53:01 PDT
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