Project ID: plumID:20.007
Source: triple/plumed.dat
Originally used with PLUMED version: 2.4.2
Stable: raw zipped stdout - stderr
Master: raw zipped stdout - stderr

# The commented out lines are the original implementation. They have been altered to be compatible with newer PLUMED versions.

d1775_2417: DISTANCE ATOMS=1775,2417
d1739_1755: DISTANCE ATOMS=1739,1755
d1795_453: DISTANCE ATOMS=1795,453
d1809_1823: DISTANCE ATOMS=1809,1823
d1823_1834: DISTANCE ATOMS=1823,1834

loop_dist: DISTANCE ATOMS=1772,1822
psi: TORSION ATOMS=1773,1775,1791,1793

COMBINE ...
LABEL=rc1 ARG=d1775_2417,d1739_1755,d1795_453,d1809_1823,d1823_1834 COEFFICIENTS=0.41801464557647705,-0.04167945683002472,0.8776463866233826,-0.21770134568214417,0.07661298662424088 PERIODIC=NO
... COMBINE

COMBINE ...
LABEL=rc2 ARG=d1775_2417,d1739_1755,d1795_453,d1809_1823,d1823_1834 COEFFICIENTS=-0.7833237051963806,0.06509189307689667,0.42879876494407654,0.0804712250828743,-0.43797600269317627 PERIODIC=NO
... COMBINE

METAD ...
BIASFACTOR=10
TEMP=300
ARG=rc1,rc2
SIGMA=0.092,0.069
HEIGHT=1.5
PACE=500
LABEL=metad
#GRID_MIN=0.0,-6.0
#GRID_MAX=8.0,2.0
#GRID_BIN=150,150
#REWEIGHTING_NGRID=150,150
... METAD

#PRINT ARG=d1775_2417,d1739_1755,d1795_453,d1809_1823,d1823_1834,loop_dist,psi,rc1,rc2,metad.bias,metad.rbias STRIDE=1 FILE=BIASED_COLVAR

PRINT ARG=d1775_2417,d1739_1755,d1795_453,d1809_1823,d1823_1834,loop_dist,psi,rc1,rc2,metad.bias STRIDE=1 FILE=BIASED_COLVAR