-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1
Hello Jie-rong-- > > Can I have a different set of OO1 PA1 PA2 atoms for each conformer and obtain > (floating) alignment tensor for each one during calculation? Any suggestions? The low-level code is set up for this, but the helper tools (like calcTensor), don't yet allow for this possibility. I plan on fixing this within the next month or so. best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.6 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> iD8DBQFIRr6+PK2zrJwS/lYRAvfEAJ9KxFeIuyS6JvXWCFcofMrE1zq5VACfbMcu vRdxILlmCg0tQBHXGCPeMis= =j8Fi -----END PGP SIGNATURE-----
