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Hi Andreas-- > > > > > I wonder why the parameters in anneal.py differ so much from the default > > > values. What is the reason for this? > > > > actually, the values in eginput/protG/anneal.py are the same as those > > set by create_NOEPot. The setup is included to illustrate how changes > > might be made. > > It is just the documentation in the internet that is not up to date: Actually, they are correct if you create an NOE potential using the bare noePot.NOEPot constructor. However, the values are modified by noePotTools.create_NOEPot. I agree that it is confusing, so I'll probably change the defaults to match. regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.5 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8 <http://mailcrypt.sourceforge.net/> iD8DBQFE9gV2PK2zrJwS/lYRAtjEAJ0X+RimSui4Y04uesR41eemcKDIlQCaA1Ul f20qERuNy2zabIIPG/B50zY= =VWMk -----END PGP SIGNATURE-----
