#############################################################
## Collective Variables                                    ##
#############################################################

# Global parameters
colvarsTrajFrequency 500

colvar {
    name q1
    orientation {
	atoms {
	    psfSegID PROA
	    atomNameResidueRange { CA 20-54 }
	    centerReference on
	    rotateReference on
	    fittingGroup {
		psfSegID PROA PROA PROA PROA PROA PROA PROB PROB PROB PROB PROB PROB
		atomNameResidueRange { CA 20-54 }
		atomNameResidueRange { CA 66-86 }
		atomNameResidueRange { CA 94-112 }
		atomNameResidueRange { CA 122-148 }
		atomNameResidueRange { CA 158-183 }
		atomNameResidueRange { CA 190-207 }
		atomNameResidueRange { CA 253-282 }
		atomNameResidueRange { CA 293-316 }
		atomNameResidueRange { CA 322-341 }
		atomNameResidueRange { CA 351-374 }
		atomNameResidueRange { CA 382-409 }
		atomNameResidueRange { CA 415-448 }
	    }
	    refPositionsFile ../../system/eq.pdb
	    enableFitGradients off
	}
	refPositionsFile ../../system/eq.pdb
    }
}

colvar {
    name q2
    orientation {
	atoms {
	    psfSegID PROA
	    atomNameResidueRange { CA 66-86 }
	    centerReference on
	    rotateReference on
	    fittingGroup {
		psfSegID PROA PROA PROA PROA PROA PROA PROB PROB PROB PROB PROB PROB
		atomNameResidueRange { CA 20-54 }
		atomNameResidueRange { CA 66-86 }
		atomNameResidueRange { CA 94-112 }
		atomNameResidueRange { CA 122-148 }
		atomNameResidueRange { CA 158-183 }
		atomNameResidueRange { CA 190-207 }
		atomNameResidueRange { CA 253-282 }
		atomNameResidueRange { CA 293-316 }
		atomNameResidueRange { CA 322-341 }
		atomNameResidueRange { CA 351-374 }
		atomNameResidueRange { CA 382-409 }
		atomNameResidueRange { CA 415-448 }
	    }
	    refPositionsFile ../../system/eq.pdb
	    enableFitGradients off
	}
	refPositionsFile ../../system/eq.pdb
    }
}

colvar {
    name q3
    orientation {
	atoms {
	    psfSegID PROA
	    atomNameResidueRange { CA 94-112 }
	    centerReference on
	    rotateReference on
	    fittingGroup {
		psfSegID PROA PROA PROA PROA PROA PROA PROB PROB PROB PROB PROB PROB
		atomNameResidueRange { CA 20-54 }
		atomNameResidueRange { CA 66-86 }
		atomNameResidueRange { CA 94-112 }
		atomNameResidueRange { CA 122-148 }
		atomNameResidueRange { CA 158-183 }
		atomNameResidueRange { CA 190-207 }
		atomNameResidueRange { CA 253-282 }
		atomNameResidueRange { CA 293-316 }
		atomNameResidueRange { CA 322-341 }
		atomNameResidueRange { CA 351-374 }
		atomNameResidueRange { CA 382-409 }
		atomNameResidueRange { CA 415-448 }
	    }
	    refPositionsFile ../../system/eq.pdb
	    enableFitGradients off
	}
	refPositionsFile ../../system/eq.pdb
    }
}

colvar {
    name q4
    orientation {
	atoms {
	    psfSegID PROA
	    atomNameResidueRange { CA 122-148 }
	    centerReference on
	    rotateReference on
	    fittingGroup {
		psfSegID PROA PROA PROA PROA PROA PROA PROB PROB PROB PROB PROB PROB
		atomNameResidueRange { CA 20-54 }
		atomNameResidueRange { CA 66-86 }
		atomNameResidueRange { CA 94-112 }
		atomNameResidueRange { CA 122-148 }
		atomNameResidueRange { CA 158-183 }
		atomNameResidueRange { CA 190-207 }
		atomNameResidueRange { CA 253-282 }
		atomNameResidueRange { CA 293-316 }
		atomNameResidueRange { CA 322-341 }
		atomNameResidueRange { CA 351-374 }
		atomNameResidueRange { CA 382-409 }
		atomNameResidueRange { CA 415-448 }
	    }
	    refPositionsFile ../../system/eq.pdb
	    enableFitGradients off
	}
	refPositionsFile ../../system/eq.pdb
    }
}

colvar {
    name q5
    orientation {
	atoms {
	    psfSegID PROA
	    atomNameResidueRange { CA 158-183 }
	    centerReference on
	    rotateReference on
	    fittingGroup {
		psfSegID PROA PROA PROA PROA PROA PROA PROB PROB PROB PROB PROB PROB
		atomNameResidueRange { CA 20-54 }
		atomNameResidueRange { CA 66-86 }
		atomNameResidueRange { CA 94-112 }
		atomNameResidueRange { CA 122-148 }
		atomNameResidueRange { CA 158-183 }
		atomNameResidueRange { CA 190-207 }
		atomNameResidueRange { CA 253-282 }
		atomNameResidueRange { CA 293-316 }
		atomNameResidueRange { CA 322-341 }
		atomNameResidueRange { CA 351-374 }
		atomNameResidueRange { CA 382-409 }
		atomNameResidueRange { CA 415-448 }
	    }
	    refPositionsFile ../../system/eq.pdb
	    enableFitGradients off
	}
	refPositionsFile ../../system/eq.pdb
    }
}

colvar {
    name q6
    orientation {
	atoms {
	    psfSegID PROA
	    atomNameResidueRange { CA 190-207 }
	    centerReference on
	    rotateReference on
	    fittingGroup {
		psfSegID PROA PROA PROA PROA PROA PROA PROB PROB PROB PROB PROB PROB
		atomNameResidueRange { CA 20-54 }
		atomNameResidueRange { CA 66-86 }
		atomNameResidueRange { CA 94-112 }
		atomNameResidueRange { CA 122-148 }
		atomNameResidueRange { CA 158-183 }
		atomNameResidueRange { CA 190-207 }
		atomNameResidueRange { CA 253-282 }
		atomNameResidueRange { CA 293-316 }
		atomNameResidueRange { CA 322-341 }
		atomNameResidueRange { CA 351-374 }
		atomNameResidueRange { CA 382-409 }
		atomNameResidueRange { CA 415-448 }
	    }
	    refPositionsFile ../../system/eq.pdb
	    enableFitGradients off
	}
	refPositionsFile ../../system/eq.pdb
    }
}

colvar {
    name q7
    orientation {
	atoms {
	    psfSegID PROB
	    atomNameResidueRange { CA 253-282 }
	    centerReference on
	    rotateReference on
	    fittingGroup {
		psfSegID PROA PROA PROA PROA PROA PROA PROB PROB PROB PROB PROB PROB
		atomNameResidueRange { CA 20-54 }
		atomNameResidueRange { CA 66-86 }
		atomNameResidueRange { CA 94-112 }
		atomNameResidueRange { CA 122-148 }
		atomNameResidueRange { CA 158-183 }
		atomNameResidueRange { CA 190-207 }
		atomNameResidueRange { CA 253-282 }
		atomNameResidueRange { CA 293-316 }
		atomNameResidueRange { CA 322-341 }
		atomNameResidueRange { CA 351-374 }
		atomNameResidueRange { CA 382-409 }
		atomNameResidueRange { CA 415-448 }
	    }
	    refPositionsFile ../../system/eq.pdb
	    enableFitGradients off
	}
	refPositionsFile ../../system/eq.pdb
    }
}

colvar {
    name q8
    orientation {
	atoms {
	    psfSegID PROB
	    atomNameResidueRange { CA 293-316 }
	    centerReference on
	    rotateReference on
	    fittingGroup {
		psfSegID PROA PROA PROA PROA PROA PROA PROB PROB PROB PROB PROB PROB
		atomNameResidueRange { CA 20-54 }
		atomNameResidueRange { CA 66-86 }
		atomNameResidueRange { CA 94-112 }
		atomNameResidueRange { CA 122-148 }
		atomNameResidueRange { CA 158-183 }
		atomNameResidueRange { CA 190-207 }
		atomNameResidueRange { CA 253-282 }
		atomNameResidueRange { CA 293-316 }
		atomNameResidueRange { CA 322-341 }
		atomNameResidueRange { CA 351-374 }
		atomNameResidueRange { CA 382-409 }
		atomNameResidueRange { CA 415-448 }
	    }
	    refPositionsFile ../../system/eq.pdb
	    enableFitGradients off
	}
	refPositionsFile ../../system/eq.pdb
    }
}

colvar {
    name q9
    orientation {
	atoms {
	    psfSegID PROB
	    atomNameResidueRange { CA 322-341 }
	    centerReference on
	    rotateReference on
	    fittingGroup {
		psfSegID PROA PROA PROA PROA PROA PROA PROB PROB PROB PROB PROB PROB
		atomNameResidueRange { CA 20-54 }
		atomNameResidueRange { CA 66-86 }
		atomNameResidueRange { CA 94-112 }
		atomNameResidueRange { CA 122-148 }
		atomNameResidueRange { CA 158-183 }
		atomNameResidueRange { CA 190-207 }
		atomNameResidueRange { CA 253-282 }
		atomNameResidueRange { CA 293-316 }
		atomNameResidueRange { CA 322-341 }
		atomNameResidueRange { CA 351-374 }
		atomNameResidueRange { CA 382-409 }
		atomNameResidueRange { CA 415-448 }
	    }
	    refPositionsFile ../../system/eq.pdb
	    enableFitGradients off
	}
	refPositionsFile ../../system/eq.pdb
    }
}


colvar {
    name q10
    orientation {
	atoms {
	    psfSegID PROB
	    atomNameResidueRange { CA 351-374 }
	    centerReference on
	    rotateReference on
	    fittingGroup {
		psfSegID PROA PROA PROA PROA PROA PROA PROB PROB PROB PROB PROB PROB
		atomNameResidueRange { CA 20-54 }
		atomNameResidueRange { CA 66-86 }
		atomNameResidueRange { CA 94-112 }
		atomNameResidueRange { CA 122-148 }
		atomNameResidueRange { CA 158-183 }
		atomNameResidueRange { CA 190-207 }
		atomNameResidueRange { CA 253-282 }
		atomNameResidueRange { CA 293-316 }
		atomNameResidueRange { CA 322-341 }
		atomNameResidueRange { CA 351-374 }
		atomNameResidueRange { CA 382-409 }
		atomNameResidueRange { CA 415-448 }
	    }
	    refPositionsFile ../../system/eq.pdb
	    enableFitGradients off
	}
	refPositionsFile ../../system/eq.pdb
    }
}


colvar {
    name q11
    orientation {
	atoms {
	    psfSegID PROB
	    atomNameResidueRange { CA 382-409 }
	    centerReference on
	    rotateReference on
	    fittingGroup {
		psfSegID PROA PROA PROA PROA PROA PROA PROB PROB PROB PROB PROB PROB
		atomNameResidueRange { CA 20-54 }
		atomNameResidueRange { CA 66-86 }
		atomNameResidueRange { CA 94-112 }
		atomNameResidueRange { CA 122-148 }
		atomNameResidueRange { CA 158-183 }
		atomNameResidueRange { CA 190-207 }
		atomNameResidueRange { CA 253-282 }
		atomNameResidueRange { CA 293-316 }
		atomNameResidueRange { CA 322-341 }
		atomNameResidueRange { CA 351-374 }
		atomNameResidueRange { CA 382-409 }
		atomNameResidueRange { CA 415-448 }
	    }
	    refPositionsFile ../../system/eq.pdb
	    enableFitGradients off
	}
	refPositionsFile ../../system/eq.pdb
    }
}


colvar {
    name q12
    orientation {
	atoms {
	    psfSegID PROB
	    atomNameResidueRange { CA 415-448 }
	    centerReference on
	    rotateReference on
	    fittingGroup {
		psfSegID PROA PROA PROA PROA PROA PROA PROB PROB PROB PROB PROB PROB
		atomNameResidueRange { CA 20-54 }
		atomNameResidueRange { CA 66-86 }
		atomNameResidueRange { CA 94-112 }
		atomNameResidueRange { CA 122-148 }
		atomNameResidueRange { CA 158-183 }
		atomNameResidueRange { CA 190-207 }
		atomNameResidueRange { CA 253-282 }
		atomNameResidueRange { CA 293-316 }
		atomNameResidueRange { CA 322-341 }
		atomNameResidueRange { CA 351-374 }
		atomNameResidueRange { CA 382-409 }
		atomNameResidueRange { CA 415-448 }
	    }
	    refPositionsFile ../../system/eq.pdb
	    enableFitGradients off
	}
	refPositionsFile ../../system/eq.pdb
    }
}

harmonic {
    name harm
    colvars { q1 q2 q3 q4 q5 q6 q7 q8 q9 q10 q11 q12 }
    centers { ( 1 , 0 , 0 , 0 ) ( 1 , 0 , 0 , 0 ) ( 1 , 0 , 0 , 0 ) ( 1 , 0 , 0 , 0 ) ( 1 , 0 , 0 , 0 ) ( 1 , 0 , 0 , 0 ) ( 1 , 0 , 0 , 0 ) ( 1 , 0 , 0 , 0 )  ( 1 , 0 , 0 , 0 ) ( 1 , 0 , 0 , 0 ) ( 1 , 0 , 0 , 0 ) ( 1 , 0 , 0 , 0 ) }
}