[gmx-users] g_angle
Bamidele Adisa
badisa at CLEMSON.EDU
Tue Sep 28 21:47:16 CEST 2004
hi,
i'm trying to get the average dihedral angle using g_angle.
how are the average dihedral angle and deviation calculated in gromacs?
does gromacs use the absolute values of angles or just uses the real values
whether positive or negative?
thanks
______________________
Bamidele Adisa
Dept of Chemical Engineering
Clemson University
Clemson, SC 29634-0909
864-654-0586
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