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rmsd0: RMSD TYPE=OPTIMAL REFERENCE=test0.pdb NOPBC
rmsds0: RMSD TYPE=SIMPLE REFERENCE=test0.pdb NOPBC
rmsd1: RMSD TYPE=OPTIMAL REFERENCE=test1.pdb NOPBC
rmsds1: RMSD TYPE=SIMPLE REFERENCE=test1.pdb NOPBC
rmsd2: RMSD TYPE=OPTIMAL REFERENCE=test2.pdb NOPBC
rmsds2: RMSD TYPE=SIMPLE REFERENCE=test2.pdb NOPBC
rmsd3: RMSD TYPE=OPTIMAL REFERENCE=test3.pdb NOPBC
rmsds3: RMSD TYPE=SIMPLE REFERENCE=test3.pdb NOPBC
rmsd4: RMSD TYPE=OPTIMAL REFERENCE=test4.pdb NOPBC
rmsds4: RMSD TYPE=SIMPLE REFERENCE=test4.pdb NOPBC
sum: COMBINE ARG=* PERIODIC=NO
RESTRAINT ARG=sum AT=20.0 KAPPA=1.0
PRINT ARG=* FILE=COLVAR.gz FMT=%6.3f
PRINT ARG=* FILE=COLVAR.res.gz FMT=%6.3f
PRINT ARG=* FILE=COLVAR.nores.gz FMT=%6.3f RESTART=NO
r1: READ VALUES=rmsd0 FILE=input_colvar.gz
PRINT ARG=r1 STRIDE=10 FILE=CC.gz FMT=%8.4f
r2: READ VALUES=rmsd0 FILE=input_colvar2 EVERY=2 IGNORE_TIME
PRINT ARG=r2 FILE=CC2 FMT=%8.4f
METAD FILE=HH.gz ARG=rmsd0 SIGMA=1 HEIGHT=0.1 PACE=10 FMT=%10.6f