colvar with moving frame of reference

From: Dhiraj Srivastava (dhirajks_at_gmail.com)
Date: Mon Apr 16 2018 - 13:29:53 CDT

Hi
   I am trying to use the spinAngle colvar and using the moving frame of
reference. however namd is showing error that
"colvars: Error: keyword "refpositionsfile" is not supported, or not
recognized in this context."

how should I solve this problem?

thank you
Dhiraj

my colvar script is

colvar {
        name spin
        outputAppliedForce on
        spinAngle {
                atoms {
                   atomsFile spin.pdb
                   atomsCol B
                   atomsColValue 1
                   refPositionsFile spin.pdb
                   refPositionsCol B
                   refPositionsColValue 1
                   axis (-0.47851067781448364,
0.23966480791568756, 0.8447416424751282)
                   }
                 atoms {
                   CenterReference on
                   RotateReference on
                   refPositionsFile spin.pdb
                   refPositionsCol B
                   refPositionsColValue 1
                   }
                 atoms {
                    psfSegID AP1
                    atomNameResidueRange CA 212-220
                    centerReference yes
                    rotateReference yes
                    fittingGroup {
                    psfSegID AP1
                    atomNameResidueRange CA 1-211
                        }
                   refPositionsFile spin.pdb
                   }
                }
                  }

harmonic {
       name harm
       colvars spin
       forceConstant 16200
       centers 0
       targetCenters -90
       targetNumSteps 10000000
      }

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