intradrmsd: DRMSD TYPE=INTRA-DRMSD REFERENCE=test0.pdb LOWER_CUTOFF=0.0 UPPER_CUTOFF=10.0
interdrmsd: DRMSD TYPE=INTER-DRMSD REFERENCE=test0.pdb LOWER_CUTOFF=0.0 UPPER_CUTOFF=10.0

drmsd1: DRMSD REFERENCE=test1.pdb LOWER_CUTOFF=0.0 UPPER_CUTOFF=10.0
drmsd2: DRMSD REFERENCE=test2.pdb LOWER_CUTOFF=0.0 UPPER_CUTOFF=10.0
drmsd3: DRMSD REFERENCE=test3.pdb LOWER_CUTOFF=0.0 UPPER_CUTOFF=10.0

ff2: COMBINE ARG=drmsd1,drmsd2 POWERS=2,2 COEFFICIENTS=0.66667,0.33333 PERIODIC=NO
ff: COMBINE ARG=ff2 POWERS=0.5 PERIODIC=NO

ff4: COMBINE ARG=drmsd3,ff2 POWERS=2,1 COEFFICIENTS=1,-0.42857 PERIODIC=NO
finter: COMBINE ARG=interdrmsd POWERS=2 COEFFICIENTS=0.57143 PERIODIC=NO

PRINT ARG=intradrmsd,ff,finter,ff4 FILE=colvar FMT=%8.4f

