Project ID: plumID:21.021
Source: atlas_inputs/atlas_2d/pca_1/plumed.dat
Originally used with PLUMED version: 2.7-mod
Stable: raw zipped stdout - stderr
Master: raw zipped stdout - stderr

#
UNITS NATURAL
d1: DISTANCE ATOMS=1,2 COMPONENTS

ff: MATHEVAL ARG=d1.x,d1.y VAR=x0,x1 PERIODIC=NO FUNC=30.0*exp(-4.0*(x0-1)^2-4.0*(x1-1)^2)+30.0*exp(-4.0*(x0-1)^2-4.0*(x1+1)^2)+30.0*exp(-4.0*(x0+1)^2-4.0*(x1+1)^2)+30.0/(1.0/((5.0*x0+5.0)^2+(5.0*x1+5.0)^2+1)+1.0/((5.0*x0-5.0)^2+(5.0*x1+5.0)^2+1)+1.0/((5.0*x0-5.0)^2+(5.0*x1-5.0)^2+1)+1.0/((-3.5355339059*x0+3.5355339059*x1)^2+(0.500000000834386*x0+0.500000000834386*x1)^8)+1.0/(1.0*x1^8+(5.0*x0-5.0)^2)+1.0/(1.0*x0^8+(5.0*x1+5.0)^2))

bb: BIASVALUE ARG=ff

rr: ATLAS ...
ARG=d1.x,d1.y REFERENCE=cluster.dat PACE=500
SIGMA=0.2  BIASFACTOR=10 HEIGHT=2.0
GRID_MAX=5.0 GRID_BIN=500 TEMP=1 TRUNCATE_GRIDS
REGULARISE=0.00000001
STATIC_WALL=0.0
ADAPTIVE_WALL=1.0
... 

PRINT ARG=rr,rr_wtfact FILE=rr.gbias STRIDE=500
PRINT ARG=rr_adaptive_wall FILE=rr.wall STRIDE=500
PRINT ARG=d1.x,d1.y,bb.bias FILE=TRAJ STRIDE=500