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Hello Olivier-- > ?? ?If I do not apply the patch, the enery output is usual with no zero > values. I indeed have some warnings, all on this model :? > > AT_Build::buildNode: cycle link found between atoms 770 LYS 48 C and 774 GLN > 49 N > removing bond. > AT_Build::buildNode: cycle link found between atoms 789 GLN 49 C and 791 LEU > 50 N > removing bond. > AT_Build::buildNode: cycle link found between atoms 808 LEU 50 C and 810 GLU > 51 N > This is an IVM message, not related to energies- it would be a good idea to understand the cycles, and to break them at an appropriate place. However, to figure out your zero energy problem, I will need some more information. If you are able to upload a complete working example to http://nmr.cit.nih.gov/xplor-nih/download.cgi, that would be easiest. best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.10 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.9 <http://mailcrypt.sourceforge.net/> iEYEARECAAYFAkwjWdoACgkQPK2zrJwS/lbp6wCfS1FDqu9Ew1BhQhhS7oeFdeXw 238An2Ofelj3GDjtjkAod8BecJFT3gh7 =P7WE -----END PGP SIGNATURE-----
