PLUMED: PLUMED is starting
PLUMED: Version: 2.11.0-dev (git: b9f2f564f) compiled on Jun 10 2026 at 10:43:37
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_master
PLUMED: LibraryPath: /home/runner/opt/lib/libplumed_masterKernel.so
PLUMED: For installed feature, see /home/runner/opt/lib/plumed_master/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_driver.dat
PLUMED: Action GROUP
PLUMED:   with label G25_N7
PLUMED:   list of atoms:
PLUMED:  788
PLUMED: Action GROUP
PLUMED:   with label C22_OH
PLUMED:   list of atoms:
PLUMED:  710
PLUMED: Action GROUP
PLUMED:   with label U23_O2
PLUMED:   list of atoms:
PLUMED:  735
PLUMED: Action GROUP
PLUMED:   with label mg
PLUMED:   list of atoms:
PLUMED:  1066
PLUMED: Action GROUP
PLUMED:   with label na
PLUMED:   list of atoms:
PLUMED:  1067 1068 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112
PLUMED:  1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137
PLUMED:  1138 1139 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151
PLUMED: Action DISTANCE
PLUMED:   with label na_dist
PLUMED:   between atoms 710 1067
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label mg_dist
PLUMED:   between atoms 788 1066
PLUMED:   using periodic boundary conditions
PLUMED: Action COORDINATION
PLUMED:   with label na_cn_1
PLUMED:   between two groups of 64 and 1 atoms
PLUMED:   first group:
PLUMED:   1067  1068  1090  1091  1092  1093  1094  1095  1096  1097  1098  1099  1100  1101  1102  1103  1104  1105  1106  1107  1108  1109  1110  1111  
PLUMED:   1112  1113  1114  1115  1116  1117  1118  1119  1120  1121  1122  1123  1124  1125  1126  1127  1128  1129  1130  1131  1132  1133  1134  1135  1136  
PLUMED:   1137  1138  1139  1140  1141  1142  1143  1144  1145  1146  1147  1148  1149  1150  1151  
PLUMED:   second group:
PLUMED:   710  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 5 steps and cutoff 1.400000
PLUMED:   contacts are counted with cutoff 0.25.  Using rational switching function with parameters d0=0
PLUMED: Action COORDINATION
PLUMED:   with label na_cn_2
PLUMED:   between two groups of 64 and 1 atoms
PLUMED:   first group:
PLUMED:   1067  1068  1090  1091  1092  1093  1094  1095  1096  1097  1098  1099  1100  1101  1102  1103  1104  1105  1106  1107  1108  1109  1110  1111  
PLUMED:   1112  1113  1114  1115  1116  1117  1118  1119  1120  1121  1122  1123  1124  1125  1126  1127  1128  1129  1130  1131  1132  1133  1134  1135  1136  
PLUMED:   1137  1138  1139  1140  1141  1142  1143  1144  1145  1146  1147  1148  1149  1150  1151  
PLUMED:   second group:
PLUMED:   735  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 5 steps and cutoff 1.400000
PLUMED:   contacts are counted with cutoff 0.25.  Using rational switching function with parameters d0=0
PLUMED: Action COORDINATION
PLUMED:   with label mg_cn
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   1066  
PLUMED:   second group:
PLUMED:   788  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 5 steps and cutoff 1.400000
PLUMED:   contacts are counted with cutoff 0.45.  Using rational switching function with parameters d0=0
PLUMED: Action PRINT
PLUMED:   with label @12
PLUMED:   with stride 1
PLUMED:   with arguments : 
PLUMED:    scalar with label na_dist 
PLUMED:    scalar with label mg_dist 
PLUMED:    scalar with label na_cn_1 
PLUMED:    scalar with label na_cn_2 
PLUMED:    scalar with label mg_cn 
PLUMED:   on file COLVAR_driver
PLUMED:   with format  %8.4f
PLUMED: Action ENDPLUMED
PLUMED:   with label @13
PLUMED: END FILE: plumed_driver.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     0.008067     0.008067     0.008067     0.008067
