# reload WTE bias
RESTART

# set up three variables for Phi and Psi dihedral angles
# and total energy
phi: TORSION ATOMS=5,7,9,15
psi: TORSION ATOMS=7,9,15,17
ene: ENERGY

# Activate metadynamics in ene
# Old Gaussians will be reloaded to perform
# the second metadynamics run in WTE.
#
wte: METAD ARG=ene PACE=99999999 HEIGHT=1.2 SIGMA=140.0 FILE=HILLS_PTWTE BIASFACTOR=16.0 TEMP=330.2 

# Activate metadynamics in phi and psi
# depositing a Gaussian every 500 time steps,
# with height equal to 1.2 kJoule/mol,
# and width 0.35 rad for both CVs.
# Well-tempered metadynamics is activated,
# and the biasfactor is set to 6.0
#
metad: METAD ARG=phi,psi PACE=500 HEIGHT=1.2 SIGMA=0.35,0.35 FILE=HILLS_PTMetaDWTE BIASFACTOR=6.0 TEMP=330.2 

# monitor the three variables, the wte and metadynamics bias potentials
PRINT STRIDE=10 ARG=phi,psi,ene,wte.bias,metad.bias FILE=COLVAR_PTMetaDWTE
