x: DISTANCE ATOMS=1,2

RESTRAINT ARG=x SLOPE=1.0 AT=0.0

HISTOGRAM ... 
  ARG=x
  GRID_MIN=0.0
  GRID_MAX=3.0
  GRID_BIN=100
  BANDWIDTH=0.1
  LABEL=hA
... HISTOGRAM

DUMPGRID GRID=hA FILE=histoA STRIDE=1 FMT=%8.4f

bias: REWEIGHT_BIAS TEMP=300

HISTOGRAM ...
  ARG=x
  GRID_MIN=0.0
  GRID_MAX=3.0
  GRID_BIN=100
  BANDWIDTH=0.1
  LOGWEIGHTS=bias 
  NORMALIZATION=true
  LABEL=hB
... HISTOGRAM

DUMPGRID GRID=hB FILE=histoB STRIDE=1 FMT=%8.4f

HISTOGRAM ...
  ARG=x
  GRID_MIN=0.0
  GRID_MAX=3.0
  GRID_BIN=100
  BANDWIDTH=0.1
  LABEL=hC
... HISTOGRAM

DUMPGRID GRID=hC FILE=histoC 

HISTOGRAM ...
  ARG=x
  GRID_MIN=0.0
  GRID_MAX=3.0
  GRID_BIN=100
  KERNEL=DISCRETE
  LOGWEIGHTS=bias
  NORMALIZATION=false
  LABEL=hD
... HISTOGRAM

DUMPGRID GRID=hD FILE=histoD FMT=%8.4f 

bias-ht: REWEIGHT_BIAS TEMP=10000

HISTOGRAM ...
  ARG=x
  GRID_MIN=0.0
  GRID_MAX=3.0
  GRID_BIN=100
  KERNEL=DISCRETE
  LOGWEIGHTS=bias-ht
  NORMALIZATION=false
  LABEL=hE
... HISTOGRAM

fE: CONVERT_TO_FES GRID=hE TEMP=10000 
DUMPGRID GRID=fE FMT=%8.4f FILE=histoE 

HISTOGRAM ...
  ARG=x
  GRID_MIN=0.0
  GRID_MAX=3.0
  GRID_BIN=100
  KERNEL=DISCRETE
  LOGWEIGHTS=bias
  UPDATE_FROM=0
  UPDATE_UNTIL=1
  NORMALIZATION=false
  LABEL=hD1
... HISTOGRAM

DUMPGRID GRID=hD1 FILE=histoD1 FMT=%8.4f 

HISTOGRAM ...
  ARG=x
  GRID_MIN=0.0
  GRID_MAX=3.0
  GRID_BIN=100
  KERNEL=DISCRETE
  LOGWEIGHTS=bias
  UPDATE_FROM=1
  UPDATE_UNTIL=2
  NORMALIZATION=false
  LABEL=hD2
... HISTOGRAM

DUMPGRID GRID=hD2 FILE=histoD2 FMT=%8.4f 







