PLUMED: PLUMED is starting
PLUMED: Version: 2.10.0 (git: 09264719e) compiled on Jun 10 2026 at 10:34:57
PLUMED: Please cite these papers when using PLUMED [1][2]
PLUMED: For further information see the PLUMED web page at http://www.plumed.org
PLUMED: Root: /home/runner/opt/lib/plumed
PLUMED: LibraryPath: /home/runner/opt/lib/libplumedKernel.so
PLUMED: For installed feature, see /home/runner/opt/lib/plumed/src/config/config.txt
PLUMED: Molecular dynamics engine: driver
PLUMED: Precision of reals: 8
PLUMED: Running over 1 node
PLUMED: Number of threads: 1
PLUMED: Cache line size: 512
PLUMED: Number of atoms: 100000
PLUMED: File suffix: 
PLUMED: FILE: plumed.dat
PLUMED: Action UNITS
PLUMED:   with label @0
PLUMED:   length: A = 0.1 nm
PLUMED:   energy: kj/mol
PLUMED:   time: ps
PLUMED:   charge: e
PLUMED:   mass: amu
PLUMED:   using physical units
PLUMED:   inside PLUMED, Boltzmann constant is 0.00831446
PLUMED: Action GROUP
PLUMED:   with label Cu
PLUMED:   list of atoms:
PLUMED:  5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29
PLUMED:  30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52
PLUMED: Action GROUP
PLUMED:   with label O
PLUMED:   list of atoms:
PLUMED:  2 3
PLUMED: Action GROUP
PLUMED:   with label C
PLUMED:   list of atoms:
PLUMED:  1
PLUMED: Action GROUP
PLUMED:   with label H
PLUMED:   list of atoms:
PLUMED:  4
PLUMED: Action COORDINATION
PLUMED:   with label coord_Cu-O
PLUMED:   between two groups of 48 and 2 atoms
PLUMED:   first group:
PLUMED:   5  6  7  8  9  10  11  12  13  14  15  16  17  18  19  20  21  22  23  24  25  26  27  28  
PLUMED:   29  30  31  32  33  34  35  36  37  38  39  40  41  42  43  44  45  46  47  48  49  50  51  52  
PLUMED:   second group:
PLUMED:   2  3  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 2.97.  Using rational switching function with parameters d0=0 nn=6 mm=12
PLUMED: Action COORDINATION
PLUMED:   with label coord_Cu-C
PLUMED:   between two groups of 48 and 1 atoms
PLUMED:   first group:
PLUMED:   5  6  7  8  9  10  11  12  13  14  15  16  17  18  19  20  21  22  23  24  25  26  27  28  
PLUMED:   29  30  31  32  33  34  35  36  37  38  39  40  41  42  43  44  45  46  47  48  49  50  51  52  
PLUMED:   second group:
PLUMED:   1  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 3.12.  Using rational switching function with parameters d0=0 nn=6 mm=12
PLUMED: Action COORDINATION
PLUMED:   with label coord_Cu-H
PLUMED:   between two groups of 48 and 1 atoms
PLUMED:   first group:
PLUMED:   5  6  7  8  9  10  11  12  13  14  15  16  17  18  19  20  21  22  23  24  25  26  27  28  
PLUMED:   29  30  31  32  33  34  35  36  37  38  39  40  41  42  43  44  45  46  47  48  49  50  51  52  
PLUMED:   second group:
PLUMED:   4  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 2.45.  Using rational switching function with parameters d0=0 nn=6 mm=12
PLUMED: Action COORDINATION
PLUMED:   with label coord_O-C
PLUMED:   between two groups of 2 and 1 atoms
PLUMED:   first group:
PLUMED:   2  3  
PLUMED:   second group:
PLUMED:   1  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 2.13.  Using rational switching function with parameters d0=0 nn=6 mm=12
PLUMED: Action COORDINATION
PLUMED:   with label coord_O-H
PLUMED:   between two groups of 2 and 1 atoms
PLUMED:   first group:
PLUMED:   2  3  
PLUMED:   second group:
PLUMED:   4  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 1.46.  Using rational switching function with parameters d0=0 nn=6 mm=12
PLUMED: Action COORDINATION
PLUMED:   with label coord_C-H
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   1  
PLUMED:   second group:
PLUMED:   4  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 1.6.  Using rational switching function with parameters d0=0 nn=6 mm=12
PLUMED: Action DISTANCE
PLUMED:   with label dist_O-O
PLUMED:   between atoms 2 3
PLUMED:   using periodic boundary conditions
PLUMED: Action PRINT
PLUMED:   with label @13
PLUMED:   with stride 1
PLUMED:   with arguments : 
PLUMED:    scalar with label coord_Cu-O 
PLUMED:    scalar with label coord_Cu-C 
PLUMED:    scalar with label coord_Cu-H 
PLUMED:    scalar with label coord_O-C 
PLUMED:    scalar with label coord_O-H 
PLUMED:    scalar with label coord_C-H 
PLUMED:    scalar with label dist_O-O 
PLUMED:   on file COLVAR
PLUMED:   with format  %f
PLUMED: END FILE: plumed.dat
PLUMED: Timestep: 1.000000
PLUMED: KbT: 2.490000
PLUMED: Relevant bibliography:
PLUMED:   [1] The PLUMED consortium, Nat. Methods 16, 670 (2019)
PLUMED:   [2] Tribello, Bonomi, Branduardi, Camilloni, and Bussi, Comput. Phys. Commun. 185, 604 (2014)
PLUMED: Please read and cite where appropriate!
PLUMED: Finished setup
PLUMED:                                               Cycles        Total      Average      Minimum      Maximum
PLUMED:                                                    1     0.007343     0.007343     0.007343     0.007343
