[gmx-users] g_chi

quantix1 at gmx.de quantix1 at gmx.de
Wed Apr 30 14:33:01 CEST 2003


Dear all,

I am trying to analyze the backbone dihedrals of my system with g_chi.
However,
somehow the phi,psi and omega dihedrals are not recognized correctly. That
means,
the atoms i j k l do not correspond to those angles. I have introduced some
new
amino acids. Do I have to edit another parameter file in addition to the
ones needed to 
run the simulations. I am using the gromacs united atoms force fields.

Thanks for your help,

Uwe

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