plumed_ex3.dat

UNITS NATURAL
COM ATOMS=1-7 LABEL=com
DISTANCE ATOMS=1,com LABEL=d1
UPPER_WALLS ARG=d1 AT=2.0 KAPPA=100.
DISTANCE ATOMS=2,com LABEL=d2
UPPER_WALLS ARG=d2 AT=2.0 KAPPA=100.
DISTANCE ATOMS=3,com LABEL=d3
UPPER_WALLS ARG=d3 AT=2.0 KAPPA=100.
DISTANCE ATOMS=4,com LABEL=d4
UPPER_WALLS ARG=d4 AT=2.0 KAPPA=100.
DISTANCE ATOMS=5,com LABEL=d5
UPPER_WALLS ARG=d5 AT=2.0 KAPPA=100.
DISTANCE ATOMS=6,com LABEL=d6
UPPER_WALLS ARG=d6 AT=2.0 KAPPA=100.
DISTANCE ATOMS=7,com LABEL=d7
UPPER_WALLS ARG=d7 AT=2.0 KAPPA=100.

# Get the potential energy
e: ENERGY
# Calculate block averages of the potential energy
av_e: AVERAGE ARG=e CLEAR=100 STRIDE=1
# Print the block averages of the potential energy to a file
PRINT ARG=av_e STRIDE=100 FILE=energy