-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1
Hello Lei-- > As it turned out, without using the cart_cool, the anneal.py works > fine.? Thanks for the help and please let me know when you find the > difference between 2.18 and the later version. I have several > simulations done using the older version. It turns out the the reason for the crash was the 0 value used for the final temperature for simulated annealing. The variable timestep algorithm in the IVM chokes with T=0. In the next release the IVM will exit when given this combination of parameters. Note that the original version of anneal.py did not have finalTemp=0. best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.9 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> iD8DBQFJKw1iPK2zrJwS/lYRAhmtAKCBExIzCul1yF2H8Qll+/sq+Rf0PwCeKpqt OYyzMLc3wB+K7Q7ItrgJ2hw= =wGLX -----END PGP SIGNATURE-----
