PLUMED-NEST

Project ID: plumID:19.076
Source: Pulling/001010/pleq1
Originally used with PLUMED version: 2.1
Stable: raw zipped stdout - stderr
Master: raw zipped stdout - stderr

# Adapt units to LAMMPS script (units real)
UNITS LENGTH=A TIME=fs ENERGY=kcal/mol

# Radius of Gyration
rg: GYRATION TYPE=RADIUS ATOMS=1-293


restr: ...
        MOVINGRESTRAINT
        ARG=rg
        STEP0=0 AT0=32.6668 KAPPA0=10
        STEP1=1 AT1=32.6668 KAPPA1=10
...
# Print rg
PRINT ARG=rg,restr.rg_cntr,restr.rg_work FILE=workeq1 STRIDE=100000

# End of Program
ENDPLUMED