LOAD ../../extensions/libplumedExtensions.dylib

DISTANCE ATOMS=0,21 LABEL=C1 COMPONENTS 
VOLUME   LABEL=vol
ENERGY   LABEL=ene

COMBINE LABEL=x  ARG=C1.x,C1.y,C1.z POWERS=2,2,2
COMBINE LABEL=xx ARG=x              POWERS=0.5

#RESTRAINT ARG=C1 AT=1.1 KAPPA=10000.0

#MOVINGRESTRAINT ARG=ene AT0=-8525.08 KAPPA0=0.024  AT1=-8000 STEP0=0 STEP1=10000
#RESTRAINT ARG=ene AT=-8525.08 KAPPA=-0.0002 STRIDE=2

RESTRAINT ARG=C1 AT=0.4 KAPPA=1000.0

#RESTRAINT ARG=vol AT=6.8 KAPPA=100.0

FLUSH STRIDE=100

PRINT ARG=C1,vol,ene,C1.x,C1.y,C1.z STRIDE=1 FILE=COLVAR

##PRINT ...
##  ARG=*.*
##  STRIDE=10
##  FILE=COLVAR_ALL
##... PRINT

DEBUG logActivity 

ENDPLUMED


