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Hello Andrew-- > One final questions. After running refine.py, the orientational tensor > atoms end up sitting right on top of my peptide. Can I assume that no > interactions are calculated between the tensor atoms and anything else? > Correct. There should be no interactions. To confirm this, you could look at the VDW entry in the .viols file and make sure no tensor atoms are listed. best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.6 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> iD8DBQFHaYDlPK2zrJwS/lYRAmnbAJ9o7E+kk1X7RlUhMaEit7lRqyvAIgCfdmFX KnsKY5skAVUcBM/3jCvp2rU= =FNaf -----END PGP SIGNATURE-----
