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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-----
