[Xplor-nih] bond-breaking!

[Charles at Schwieters.org]

-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA1


Hello David--

> I'm getting lots of broken bonds when I attempt to generate random
> structures using the random.inp script attached, as indicated in the
> log file (abbreviated).  These of course persist in subsequent sa
> runs.  Pls. advise.  Thanks.  David

If you're having problems with that script, I suggest checking out
eginput/gb1_rdc/anneal.py 
and working with the Python interface instead.

best regards--
Charles
-----BEGIN PGP SIGNATURE-----
Version: GnuPG v1.4.6 (GNU/Linux)
Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/>

iD8DBQFINYJrPK2zrJwS/lYRAscMAJ4sMqnsZH8h2iwVGjPR5t8fYPsieACeO+pv
xDzKcEOmMq0PkJ8lMZSChPw=
=QXA7
-----END PGP SIGNATURE-----