[gmx-users] g_chi and torsional angles

Sandor Lovas SandorLovas at creighton.edu
Thu Dec 1 17:11:26 CET 2005

Few days ago there was a discussion about the omega angle calculated by
by the g_chi
program and David van der Spoel pointed out that the definition of the
angle is wrong in 3.3. I think the phi and psi angles are wrongly
defined as well. If you
compare the angles given by "g_rama" and by "g_chi -rama" you'll see
that the phi
and psi angles by the latter program are also wrong.  
Dr. Sandor Lovas, Associate Professor  |   Phone: 402-280-5753
Department of Biomedical Sciences      |   Fax:   402-280-2690
Creighton University                   |   http://bif1.creighton.edu
2500 California Plaza,                 |
Omaha, NE 68178, USA                   |

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