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 ...
  STRIDE=1
  ARG=*
  FILE=COLVAR FMT=%6.3f
... PRINT

##  # This is to check numerical derivatives:
##  rmsd0n:   RMSD TYPE=OPTIMAL REFERENCE=test0.pdb NUMERICAL_DERIVATIVES
##  rmsd1n:   RMSD TYPE=OPTIMAL REFERENCE=test1.pdb NUMERICAL_DERIVATIVES
##  rmsd2n:   RMSD TYPE=OPTIMAL REFERENCE=test2.pdb NUMERICAL_DERIVATIVES
##  rmsd3n:   RMSD TYPE=OPTIMAL REFERENCE=test3.pdb NUMERICAL_DERIVATIVES
##  rmsd4n:   RMSD TYPE=OPTIMAL REFERENCE=test4.pdb NUMERICAL_DERIVATIVES
##  DUMPDERIVATIVES ARG=rmsd0,rmsd0n FILE=check0
##  DUMPDERIVATIVES ARG=rmsd1,rmsd1n FILE=check1
##  DUMPDERIVATIVES ARG=rmsd2,rmsd2n FILE=check2
##  DUMPDERIVATIVES ARG=rmsd3,rmsd3n FILE=check3
##  DUMPDERIVATIVES ARG=rmsd4,rmsd4n FILE=check4

DEBUG DETAILED_TIMERS

ENDPLUMED

text here should be ignored
