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Hello Eugene-- > I am trying to use the ensemble.py script to compute a DNA structure using > only NOE and dihedral restraints. I have set ensembleSize=1 and commented > out the dipolar and csa restraints. The calculation runs fine, but does not > do the final averaging step. Can anyone suggest what might be causing this > problem? You mean structure averaging in StructureLoop- right? Are there any warning or error messages? Which arguments are you passing to StructureLoop? best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.10 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.9 <http://mailcrypt.sourceforge.net/> iEYEARECAAYFAkwjWnYACgkQPK2zrJwS/lbPWgCeJLM+yIKVFHkSk/y+5b0ABVRl vb4AniJNAPoj5v0+aDHv/nAH1mlYYoLl =Xpvh -----END PGP SIGNATURE-----
