Project ID: plumID:19.060
Source: 1_wolfe_quapp_potential/single_replica/inputs/plumed.dat
Originally used with PLUMED version: 2.5-mod
Stable: raw zipped stdout - stderr
Master: raw zipped stdout - stderr

# vim:ft=plumed
UNITS NATURAL

p: POSITION ATOM=1

ene: ENERGY
# nn bias
NN_VES ...
LABEL=nn
ARG=p.x
NODES=48,24,12 
OPTIM=ADAM
ACTIVATION=RELU
GRID_MIN=-3. 
GRID_MAX=3.
GRID_BIN=50 
TEMP=1.
AVE_STRIDE=500 
PRINT_STRIDE=1000 
TARGET_STRIDE=1
GAMMA=10
LRATE=0.001
TAU_KL=50000
DECAY=5000
ADAPTIVE_DECAY=0.5
... NN_VES

# monitor the two variables and the metadynamics bias potential
PRINT STRIDE=500 ARG=* FILE=COLVAR FMT=%10.8f