AMBER Archive (2003)

Subject: Re: NOESY restraints

From: Steph (steletch_at_free.fr)
Date: Sat Jun 21 2003 - 05:27:35 CDT

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_at_free.fr>