Project ID: plumID:19.058
Source: plumed_cylinder.dat
Originally used with PLUMED version: 2.5
Stable: raw zipped stdout - stderr
Master: raw zipped stdout - stderr


# com1 is the COM of one triangular face of the prism, com2 of the other. The orientation is given by the vector from com1 to com2 
COM ATOMS=3,25,39 LABEL=com1
COM ATOMS=49,69,81 LABEL=com2

# inplane distance between com1 and com2
d1: INPLANEDISTANCES VECTORSTART=com1 VECTOREND=com2 GROUP=1-162 MIN={BETA=5} 

MOVINGRESTRAINT ...
    ARG=d1.min
    STEP0=0      AT0=0.5  KAPPA0=0.0
    STEP1=20000  AT1=0.5  KAPPA1=50000.0
    LABEL=m1
    VERSE=L
... MOVINGRESTRAINT

PRINT ARG=d1.*,m1.* FILE=colvar STRIDE=10
FLUSH STRIDE=10