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Hello Matthias-- I have found and fixed a number of bugs in the hbdb module. This should fix the major issues you have- most of the test scripts you sent now work. However, one of the limitations of that module is that new atoms cannot be added after the first hbdb statement, so that your waterrefine_rdc_b.inp script still crashes. If you would like a beta binary package, please let me know which platforms you're using, and I'll make them today. regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.2.2 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8 <http://mailcrypt.sourceforge.net/> iD8DBQFEW7WePK2zrJwS/lYRApE8AJ9kXBDlRxu+qQlOmMHNVR3lOnMWAwCeKTPS RzNxCsD+v5aEDOU+7NtYIjk= =WNrd -----END PGP SIGNATURE-----
