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Hello Vitaly-- > > Thank you for your response. I have added the changes to the default > protG "anneal.py" script, and now the extended conformation is loaded > in VMD-Xplor. However, when it comes to " IVM.setTrajectory( > VMDTraj(vobj,saveInterval=100) )" line, the script terminates with the > following message: > > TypeError: unbound method setTrajectory() must be called with IVM instance as > first argument (got VMDTraj instance instead) the object to the left of the . in ivm.setTrajectory must be an IVM instance. So, for eginput/gb1_rdc/anneal.py this will be dyn and minc. best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.10 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> iEYEARECAAYFAktFAugACgkQPK2zrJwS/lbb2QCeK5WLRYACOqSAE7EbzVY7XGlG /jcAniJjymjsJX4DP15VL6LFau8KBxSy =M2p6 -----END PGP SIGNATURE-----
