PLUMED: PLUMED is starting
PLUMED: Version: 2.10.0 (git: f9937549d) compiled on May 12 2026 at 18:36:09
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 MOLINFO
PLUMED:   with label @0
PLUMED:   pdb file named processed.pdb contains 1 chains 
PLUMED:   chain named   contains residues 1 to 15 and atoms 1 to 225 
PLUMED: Action WHOLEMOLECULES
PLUMED:   with label @1
PLUMED:   with stride 1
PLUMED:   atoms in entity 0 : 1 2 3 4 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 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 
PLUMED: Action TORSION
PLUMED:   with label zeta
PLUMED:   between atoms 92 106 108 111
PLUMED:   using periodic boundary conditions
PLUMED: Action TORSION
PLUMED:   with label psi
PLUMED:   between atoms 107 111 119 121
PLUMED:   using periodic boundary conditions
PLUMED: Action METAD
PLUMED:   with label metad
PLUMED:   with arguments : 
PLUMED:    scalar with label zeta 
PLUMED:    scalar with label psi 
PLUMED:   added component to this action:  metad.bias 
PLUMED:   Binsize not specified, 1/5 of sigma will be be used
PLUMED:   Gaussian width  0.070000 0.070000  Gaussian height 0.800000
PLUMED:   Gaussian deposition pace 500
PLUMED:   Gaussian file HILLS_PRO
PLUMED:   Well-Tempered Bias Factor 8.000000
PLUMED:   Hills relaxation time (tau) 10839.979963
PLUMED:   KbT 2.477710
PLUMED:   Grid min -pi -pi
PLUMED:   Grid max pi pi
PLUMED:   Grid bin 449 449
PLUMED:   Grid uses spline interpolation
PLUMED:   added component to this action:  metad.rbias 
PLUMED:   added component to this action:  metad.rct 
PLUMED:   The c(t) reweighting factor will be calculated every 1 hills
PLUMED:   Bibliography [3][4][5]
PLUMED: Action PRINT
PLUMED:   with label @7
PLUMED:   with stride 2500
PLUMED:   with arguments : 
PLUMED:    scalar with label zeta 
PLUMED:    scalar with label psi 
PLUMED:    scalar with label metad.rbias 
PLUMED:    scalar with label metad.rct 
PLUMED:    scalar with label metad.bias 
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:   [3] Laio and Parrinello, PNAS 99, 12562 (2002)
PLUMED:   [4] Barducci, Bussi, and Parrinello, Phys. Rev. Lett. 100, 020603 (2008)
PLUMED:   [5] Pratyush and Parrinello, J. Phys. Chem. B, 119, 736 (2015)
PLUMED: Please read and cite where appropriate!
PLUMED: Finished setup
PLUMED:                                               Cycles        Total      Average      Minimum      Maximum
PLUMED:                                                    1     0.011116     0.011116     0.011116     0.011116
