Project ID: plumID:19.079
Source: tio2_gla/plumed.dat
Originally used with PLUMED version: 2.4.2
Stable: raw zipped stdout - stderr
Master: raw zipped stdout - stderr

# vim: ft=plumed

RESTART

# Ref atom on surf
ref: GROUP ATOMS=2574

# Entire peptide COM to surface
c: COM ATOMS=1-29
d: DISTANCE ATOMS=ref,c COMPONENTS NOPBC

METAD ...
LABEL=mtd
ARG=d.z 
PACE=1000
BIASFACTOR=10
HEIGHT=2.0
SIGMA=0.01
FILE=HILLS
GRID_MIN=-1
GRID_MAX=10
WALKERS_MPI
... METAD

## wall 
UPPER_WALLS ARG=d.z AT=3.0 KAPPA=50000 LABEL=uwall

PRINT ARG=* STRIDE=1000 FILE=COLVAR