Project ID: plumID:19.069
Source: ibuprofen_solvent_interfaces_input_and_plumed/bulk_solution/plumed.dat
Originally used with PLUMED version: 2.3
Stable: raw zipped stdout - stderr
Master: raw zipped stdout - stderr

# celnter of mass of all solvent molecules
INCLUDE FILE=COM_solvent.dat
# solvent group 
INCLUDE FILE=groups.dat 
# defining distance 
d: DISTANCES GROUPA=s1 GROUPB=solvent  
#printing all d.z 
DUMPMULTICOLVAR DATA=d FILE=MULTICOLVAR.xyz
#gyration radius
GYRATION TYPE=RADIUS ATOMS=1-15 LABEL=rg
PRINT ARG=rg STRIDE=1 FILE=gyration

ENDPLUMED