[gmx-users] g_chi non-standard definition of phi and psi

chris.neale at utoronto.ca chris.neale at utoronto.ca
Thu Feb 15 08:35:58 CET 2007

I should have done some more searching of the documentation before I  
made my last post. I have found the relevant information in the online  
users manual for g_chi:

"Known problems: Phi and psi dihedrals are calculated in a  
non-standard way, using H-N-CA-C for phi instead of C(-)-N-CA-C, and  
N-CA-C-O for psi instead of N-CA-C-N(+). This causes (usually small)  
discrepancies with the output of other tools like g_rama."

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