**From:** Francesco Pietra (*chiendarret_at_gmail.com*)

**Date:** Thu Jun 22 2017 - 12:01:39 CDT

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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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