measuring Euler angles and polar angles

From: Francesco Pietra (chiendarret_at_gmail.com)
Date: Thu Jun 22 2017 - 12:01:39 CDT

Hi:
While r between centers of mass is OK, I would appreciate being directed to
vmd commands for getting Euler and polar angle equilibrium values in
connection with protein-ligand ABF beyond the tutorial
thanks
francesco pietra

#############################################################
# RESTRAINTS AND PMF
#############################################################

harmonic {
   colvars r
   forceConstant 0.0
   centers 27.6 # OK measured
}

harmonic {
   colvars Theta
   forceConstant 0.0
   centers 97.8
}

harmonic {
   colvars Phi
   forceConstant 0.0
   centers -9.2
}

harmonic {
   colvars Psi
   forceConstant 0.0
   centers 22.9
}

harmonic {
   colvars theta
   forceConstant 0.0
   centers 40.8
}

harmonic {
   colvars phi
   forceConstant 0.0
   centers -78.2
}

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