UNITS NATURAL

dens: COORDINATIONNUMBER SPECIESA=2 SPECIESB=3-5 SWITCH={RATIONAL D_0=1.1 R_0=0.001 D_MAX=2.0}  

# Print the average (whole trajectory) density with a stride of one 
dens1: MULTICOLVARDENS DATA=dens ORIGIN=1 DIR=x NBINS=50 NORMALIZATION=false BANDWIDTH=0.2 
DUMPGRID GRID=dens1 STRIDE=1 FILE=dens1 FMT=%8.4f
# Print the average density with a stride of two 
DUMPGRID GRID=dens1 STRIDE=2 FILE=dens2 FMT=%8.4f
# Print the average density (whole trajectory)
DUMPGRID GRID=dens1 FILE=dens5 FMT=%8.4f

# Print the average (whole trajectory) density with a stride of one 
dens1a: MULTICOLVARDENS DATA=dens ORIGIN=1 DIR=x NBINS=50 BANDWIDTH=0.2
DUMPGRID GRID=dens1a FILE=dens5a FMT=%8.4f

# Print unormalized averages (over two frames) of the density
dens1b: MULTICOLVARDENS DATA=dens ORIGIN=1 DIR=x NBINS=50 CLEAR=1 NORMALIZATION=false BANDWIDTH=0.2
DUMPGRID GRID=dens1b STRIDE=1 FILE=dens1b FMT=%8.4f

# Print block averages (over two frames) of the density
dens1ba: MULTICOLVARDENS DATA=dens ORIGIN=1 DIR=x NBINS=50 CLEAR=1 BANDWIDTH=0.2
DUMPGRID GRID=dens1ba STRIDE=1 FILE=dens1ba FMT=%8.4f

# Interpolate onto a finer grid and test
fine: MULTICOLVARDENS DATA=dens ORIGIN=1 DIR=x NBINS=100 BANDWIDTH=0.1
interpol: INTERPOLATE_GRID GRID=dens1a STRIDE=2 GRID_BIN=100

DUMPGRID GRID=fine FILE=fine_grid FMT=%8.4f
DUMPGRID GRID=interpol FILE=interpol FMT=%8.4f
