reweight.dat

 PCAVARS REFERENCE=plumed_pca_1.pdb TYPE=OPTIMAL LABEL=pca1
 PCAVARS REFERENCE=plumed_pca_2.pdb TYPE=OPTIMAL LABEL=pca2

# Activate well-tempered metadynamics in phi
metad: METAD ARG=pca1.eig-1,pca2.eig-1 ...
# Deposit a Gaussian every 500 time steps, with initial height equal to 1.2 kJ/mol
PACE=10000000 HEIGHT=0.0 # <- this is the new stuff!
# the bias factor should be wisely chosen, choose very high to approximate non well tempered metad
BIASFACTOR=100000
# Gaussian width (sigma) should be chosen based on CV fluctuation in unbiased run
SIGMA=0.0005,0.0005
# Gaussians will be written to file and also stored on grid
FILE=HILLS GRID_MIN=-0.1,-0.1 GRID_MAX=0.1,0.1
# Say that METAD should be restarting
RESTART=YES # <- this is the new stuff!
...

#PRINT ARG=pca1.eig-1,pca2.eig-1,metad.bias FILE=COLVAR_reweighted STRIDE=1  # <- also change this one!
## use the metadynamics bias as argument
# as: REWEIGHT_BIAS ARG=__FILL__
##
# hhphi: HISTOGRAM ARG=pca1.eig-1 STRIDE=50 GRID_MIN=-0.1 GRID_MAX=0.1 GRID_BIN=600 BANDWIDTH=0.1 LOGWEIGHTS=as
# hhpsi: HISTOGRAM ARG=psi STRIDE=50 GRID_MIN=-pi GRID_MAX=pi GRID_BIN=600 BANDWIDTH=0.1 LOGWEIGHTS=as
# ffphi: CONVERT_TO_FES GRID=hhphi
# ffpsi: CONVERT_TO_FES GRID=hhpsi
#
# DUMPGRID GRID=ffphi FILE=ffphi.dat
# DUMPGRID GRID=ffpsi FILE=ffpsi.dat