fixedAtoms may not be enabled in a script

From: Christopher Hartshorn (cmhartshorn_at_wsu.edu)
Date: Tue Oct 21 2008 - 10:54:17 CDT

My sim keeps failing with the following message:
Charm++ fatal error:
FATAL ERROR: FixedAtoms may not be enabled in a script.
As can be seen in my config file, I am not enabling, but disabling the
fixedAtoms exactly the way it should be done. So, I should not be
getting this error. Any suggestions would be greatly appreciated.

Best,
Chris Hartshorn
Washington State University

#############################################################
## EXTRA PARAMETERS ##
#############################################################

parameters par-extraterms.inp

fixedAtoms on
fixedAtomsForces on
fixedAtomsFile fix_backbone.pdb
fixedAtomsCol B

constraints on
consRef restrain_ca.pdb
consKFile restrain_ca.pdb
consKCol B

# Everything beyond this point is order dependent!!!!

#############################################################
## EXECUTION SCRIPT ##
#############################################################
# Run one step to get into scripting mode
minimize 0

# Turn off until later
langevinPiston off

# Minimize all atoms
minimize 1000
output min_fix

# min all atoms
fixedAtoms off
minimize 3000
output min_all

# Begin to heat system with langevin on
run 6000
output heat

langevinPiston on
run 10000
output equil_ca

# equilibrate volume without restraints
constraintScaling 0
run 80000

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