Powell minimization

[Ruth Boetzel]

Dear X-Plor users,

when I'm trying to minimize protein structures (models and NMR structures 
using constraints) some minimizations abort with the message 'line search 
abandoned'. Has anybody ever come across this? Any idea what's going wrong?
the problem occurs with X-Plor 3.1 and 3.843.

Thanks a lot in advance!

Ruth


Dr Ruth Boetzel
School of Chemical Sciences
University of East Anglia
Norwich
UK
E-Mail: r.boetzel at uea.ac.uk