solved: nmr and positional restraint in input

From: Peter Varnai <>
Date: Thu 10 Oct 2002 17:26:27 +0200 (CEST)

Thanks for the suggestions to Christoph Brockmann and Araz Jakalian!
The correct syntax is far from being logical but now I remember that
it used to be like this in amber6 - if you want to use both definitons
in the input script:

place the GROUP definition at the top of the file -before the title
line- and the rest is standard!

or redirect the noe readings from a separate file:
&cntrl ... &end
&wt ... &end
group title
RES 1 4

and put the &rst ... &end section in file 'NOE'.

Peter Varnai
Received on Thu Oct 10 2002 - 08:26:27 PDT
Custom Search