drmsd:        DRMSD REFERENCE=test.pdb LOWER_CUTOFF=0.0 UPPER_CUTOFF=15.0
drmsdn:       DRMSD REFERENCE=test.pdb LOWER_CUTOFF=0.0 UPPER_CUTOFF=15.0 NUMERICAL_DERIVATIVES

drmsdnopbc:   DRMSD REFERENCE=test.pdb LOWER_CUTOFF=0.0 UPPER_CUTOFF=15.0 NOPBC
drmsdnopbcn:  DRMSD REFERENCE=test.pdb LOWER_CUTOFF=0.0 UPPER_CUTOFF=15.0 NOPBC NUMERICAL_DERIVATIVES

# additional check with short cutoff
drmsdx1:       DRMSD REFERENCE=test.pdb LOWER_CUTOFF=0.0 UPPER_CUTOFF=0.1
drmsdx2:       DRMSD REFERENCE=test.pdb LOWER_CUTOFF=0.0 UPPER_CUTOFF=0.2
PRINT ARG=drmsdx1,drmsdx2 FILE=drmsdx

PRINT ...
  STRIDE=10
  ARG=drmsd,drmsdnopbc
  FILE=COLVAR FMT=%6.3f
... PRINT

DUMPDERIVATIVES ...
  STRIDE=10
  ARG=drmsd,drmsdn
  FILE=DERIVATIVES1 
  FMT=%8.5f
... DUMPDERIVATIVES 

DUMPDERIVATIVES ...
  STRIDE=10
  ARG=drmsdnopbc,drmsdnopbcn
  FILE=DERIVATIVES2
  FMT=%8.5f
... DUMPDERIVATIVES

ENDPLUMED
