Project ID: plumID:19.072
Source: plumed.6.dat
Originally used with PLUMED version: 2.4
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
# RESTARTINCLUDEIncludes an external input file, similar to #include in C preprocessor. More details. Show included fileFILE=cv.dat # The command: # INCLUDE FILE=cv.dat # ensures PLUMED loads the contents of the file called cv.dat # The contents of this file are shown below (click the red comment to hide them).file to be includedMOLINFOThis command is used to provide information on the molecules that are present in your system. More detailsSTRUCTURE=SB2_151216_1.pdba file in pdb format containing a reference structureMOLTYPE=rna #Number of total residues: 29 #Number of biased residues: 3 # Residue numbering in PDB file starts at 64, so res. 77->14, 78->15, 79->16 ########################### #### Torsions ########################### #### chi c77:what kind of molecule is contained in the pdb file - usually not needed since protein/RNA/DNA are compatibleTORSIONCalculate a torsional angle. More detailsATOMS=the four atoms involved in the torsional angle@chi-77#biased The TORSION action with label c77 calculates a scalar quantityc78:the four atoms that are required to alcullate the chi dihedral for residue 77. Click here for more information.TORSIONCalculate a torsional angle. More detailsATOMS=the four atoms involved in the torsional angle@chi-78#biased The TORSION action with label c78 calculates a scalar quantityc79:the four atoms that are required to alcullate the chi dihedral for residue 78. Click here for more information.TORSIONCalculate a torsional angle. More detailsATOMS=the four atoms involved in the torsional angle@chi-79#biased ########################### #### Base COM minimum distances ########################### #### Center of Mass The TORSION action with label c79 calculates a scalar quantitythe four atoms that are required to alcullate the chi dihedral for residue 79. Click here for more information.WHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More detailsENTITY0=the atoms that make up a molecule that you wish to align@base-64com64:the heavy atoms of the base in residue 64. Click here for more information.COMCalculate the center of mass for a group of atoms. More detailsATOMS=the list of atoms which are involved the virtual atom's definition@base-64the heavy atoms of the base in residue 64. Click here for more information.WHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More detailsENTITY0=the atoms that make up a molecule that you wish to align@base-65com65:the heavy atoms of the base in residue 65. Click here for more information.COMCalculate the center of mass for a group of atoms. More detailsATOMS=the list of atoms which are involved the virtual atom's definition@base-65the heavy atoms of the base in residue 65. Click here for more information.WHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More detailsENTITY0=the atoms that make up a molecule that you wish to align@base-66com66:the heavy atoms of the base in residue 66. Click here for more information.COMCalculate the center of mass for a group of atoms. More detailsATOMS=the list of atoms which are involved the virtual atom's definition@base-66the heavy atoms of the base in residue 66. Click here for more information.WHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More detailsENTITY0=the atoms that make up a molecule that you wish to align@base-67com67:the heavy atoms of the base in residue 67. Click here for more information.COMCalculate the center of mass for a group of atoms. More detailsATOMS=the list of atoms which are involved the virtual atom's definition@base-67the heavy atoms of the base in residue 67. Click here for more information.WHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More detailsENTITY0=the atoms that make up a molecule that you wish to align@base-68com68:the heavy atoms of the base in residue 68. Click here for more information.COMCalculate the center of mass for a group of atoms. More detailsATOMS=the list of atoms which are involved the virtual atom's definition@base-68the heavy atoms of the base in residue 68. Click here for more information.WHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More detailsENTITY0=the atoms that make up a molecule that you wish to align@base-69com69:the heavy atoms of the base in residue 69. Click here for more information.COMCalculate the center of mass for a group of atoms. More detailsATOMS=the list of atoms which are involved the virtual atom's definition@base-69the heavy atoms of the base in residue 69. Click here for more information.WHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More detailsENTITY0=the atoms that make up a molecule that you wish to align@base-70com70:the heavy atoms of the base in residue 70. Click here for more information.COMCalculate the center of mass for a group of atoms. More detailsATOMS=the list of atoms which are involved the virtual atom's definition@base-70the heavy atoms of the base in residue 70. Click here for more information.WHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More detailsENTITY0=the atoms that make up a molecule that you wish to align@base-71com71:the heavy atoms of the base in residue 71. Click here for more information.COMCalculate the center of mass for a group of atoms. More detailsATOMS=the list of atoms which are involved the virtual atom's definition@base-71the heavy atoms of the base in residue 71. Click here for more information.WHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More detailsENTITY0=the atoms that make up a molecule that you wish to align@base-72com72:the heavy atoms of the base in residue 72. Click here for more information.COMCalculate the center of mass for a group of atoms. More detailsATOMS=the list of atoms which are involved the virtual atom's definition@base-72the heavy atoms of the base in residue 72. Click here for more information.WHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More detailsENTITY0=the atoms that make up a molecule that you wish to align@base-73com73:the heavy atoms of the base in residue 73. Click here for more information.COMCalculate the center of mass for a group of atoms. More detailsATOMS=the list of atoms which are involved the virtual atom's definition@base-73the heavy atoms of the base in residue 73. Click here for more information.WHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More detailsENTITY0=the atoms that make up a molecule that you wish to align@base-74com74:the heavy atoms of the base in residue 74. Click here for more information.COMCalculate the center of mass for a group of atoms. More detailsATOMS=the list of atoms which are involved the virtual atom's definition@base-74the heavy atoms of the base in residue 74. Click here for more information.WHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More detailsENTITY0=the atoms that make up a molecule that you wish to align@base-75com75:the heavy atoms of the base in residue 75. Click here for more information.COMCalculate the center of mass for a group of atoms. More detailsATOMS=the list of atoms which are involved the virtual atom's definition@base-75the heavy atoms of the base in residue 75. Click here for more information.WHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More detailsENTITY0=the atoms that make up a molecule that you wish to align@base-76com76:the heavy atoms of the base in residue 76. Click here for more information.COMCalculate the center of mass for a group of atoms. More detailsATOMS=the list of atoms which are involved the virtual atom's definition@base-76the heavy atoms of the base in residue 76. Click here for more information.WHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More detailsENTITY0=the atoms that make up a molecule that you wish to align@base-77com77:the heavy atoms of the base in residue 77. Click here for more information.COMCalculate the center of mass for a group of atoms. More detailsATOMS=the list of atoms which are involved the virtual atom's definition@base-77the heavy atoms of the base in residue 77. Click here for more information.WHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More detailsENTITY0=the atoms that make up a molecule that you wish to align@base-78com78:the heavy atoms of the base in residue 78. Click here for more information.COMCalculate the center of mass for a group of atoms. More detailsATOMS=the list of atoms which are involved the virtual atom's definition@base-78the heavy atoms of the base in residue 78. Click here for more information.WHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More detailsENTITY0=the atoms that make up a molecule that you wish to align@base-79com79:the heavy atoms of the base in residue 79. Click here for more information.COMCalculate the center of mass for a group of atoms. More detailsATOMS=the list of atoms which are involved the virtual atom's definition@base-79the heavy atoms of the base in residue 79. Click here for more information.WHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More detailsENTITY0=the atoms that make up a molecule that you wish to align@base-80com80:the heavy atoms of the base in residue 80. Click here for more information.COMCalculate the center of mass for a group of atoms. More detailsATOMS=the list of atoms which are involved the virtual atom's definition@base-80the heavy atoms of the base in residue 80. Click here for more information.WHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More detailsENTITY0=the atoms that make up a molecule that you wish to align@base-81com81:the heavy atoms of the base in residue 81. Click here for more information.COMCalculate the center of mass for a group of atoms. More detailsATOMS=the list of atoms which are involved the virtual atom's definition@base-81the heavy atoms of the base in residue 81. Click here for more information.WHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More detailsENTITY0=the atoms that make up a molecule that you wish to align@base-82com82:the heavy atoms of the base in residue 82. Click here for more information.COMCalculate the center of mass for a group of atoms. More detailsATOMS=the list of atoms which are involved the virtual atom's definition@base-82the heavy atoms of the base in residue 82. Click here for more information.WHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More detailsENTITY0=the atoms that make up a molecule that you wish to align@base-83com83:the heavy atoms of the base in residue 83. Click here for more information.COMCalculate the center of mass for a group of atoms. More detailsATOMS=the list of atoms which are involved the virtual atom's definition@base-83the heavy atoms of the base in residue 83. Click here for more information.WHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More detailsENTITY0=the atoms that make up a molecule that you wish to align@base-84com84:the heavy atoms of the base in residue 84. Click here for more information.COMCalculate the center of mass for a group of atoms. More detailsATOMS=the list of atoms which are involved the virtual atom's definition@base-84the heavy atoms of the base in residue 84. Click here for more information.WHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More detailsENTITY0=the atoms that make up a molecule that you wish to align@base-85com85:the heavy atoms of the base in residue 85. Click here for more information.COMCalculate the center of mass for a group of atoms. More detailsATOMS=the list of atoms which are involved the virtual atom's definition@base-85the heavy atoms of the base in residue 85. Click here for more information.WHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More detailsENTITY0=the atoms that make up a molecule that you wish to align@base-86com86:the heavy atoms of the base in residue 86. Click here for more information.COMCalculate the center of mass for a group of atoms. More detailsATOMS=the list of atoms which are involved the virtual atom's definition@base-86the heavy atoms of the base in residue 86. Click here for more information.WHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More detailsENTITY0=the atoms that make up a molecule that you wish to align@base-87com87:the heavy atoms of the base in residue 87. Click here for more information.COMCalculate the center of mass for a group of atoms. More detailsATOMS=the list of atoms which are involved the virtual atom's definition@base-87the heavy atoms of the base in residue 87. Click here for more information.WHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More detailsENTITY0=the atoms that make up a molecule that you wish to align@base-88com88:the heavy atoms of the base in residue 88. Click here for more information.COMCalculate the center of mass for a group of atoms. More detailsATOMS=the list of atoms which are involved the virtual atom's definition@base-88the heavy atoms of the base in residue 88. Click here for more information.WHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More detailsENTITY0=the atoms that make up a molecule that you wish to align@base-89com89:the heavy atoms of the base in residue 89. Click here for more information.COMCalculate the center of mass for a group of atoms. More detailsATOMS=the list of atoms which are involved the virtual atom's definition@base-89the heavy atoms of the base in residue 89. Click here for more information.WHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More detailsENTITY0=the atoms that make up a molecule that you wish to align@base-90com90:the heavy atoms of the base in residue 90. Click here for more information.COMCalculate the center of mass for a group of atoms. More detailsATOMS=the list of atoms which are involved the virtual atom's definition@base-90the heavy atoms of the base in residue 90. Click here for more information.WHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More detailsENTITY0=the atoms that make up a molecule that you wish to align@base-91com91:the heavy atoms of the base in residue 91. Click here for more information.COMCalculate the center of mass for a group of atoms. More detailsATOMS=the list of atoms which are involved the virtual atom's definition@base-91the heavy atoms of the base in residue 91. Click here for more information.WHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More detailsENTITY0=the atoms that make up a molecule that you wish to align@base-92com92:the heavy atoms of the base in residue 92. Click here for more information.COMCalculate the center of mass for a group of atoms. More detailsATOMS=the list of atoms which are involved the virtual atom's definition@base-92#### Sort distances ### Residue77 ## Distances between COMs d77_64:the heavy atoms of the base in residue 92. Click here for more information.DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com64 The DISTANCE action with label d77_64 calculates a scalar quantityd77_65:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com65 The DISTANCE action with label d77_65 calculates a scalar quantityd77_66:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com66 The DISTANCE action with label d77_66 calculates a scalar quantityd77_67:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com67 The DISTANCE action with label d77_67 calculates a scalar quantityd77_68:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com68 The DISTANCE action with label d77_68 calculates a scalar quantityd77_69:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com69 The DISTANCE action with label d77_69 calculates a scalar quantityd77_70:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com70 The DISTANCE action with label d77_70 calculates a scalar quantityd77_71:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com71 The DISTANCE action with label d77_71 calculates a scalar quantityd77_72:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com72 The DISTANCE action with label d77_72 calculates a scalar quantityd77_73:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com73 The DISTANCE action with label d77_73 calculates a scalar quantityd77_74:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com74 The DISTANCE action with label d77_74 calculates a scalar quantityd77_75:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com75 The DISTANCE action with label d77_75 calculates a scalar quantityd77_76:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com76 The DISTANCE action with label d77_76 calculates a scalar quantityd77_78:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com78 The DISTANCE action with label d77_78 calculates a scalar quantityd77_79:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com79 The DISTANCE action with label d77_79 calculates a scalar quantityd77_80:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com80 The DISTANCE action with label d77_80 calculates a scalar quantityd77_81:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com81 The DISTANCE action with label d77_81 calculates a scalar quantityd77_82:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com82 The DISTANCE action with label d77_82 calculates a scalar quantityd77_83:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com83 The DISTANCE action with label d77_83 calculates a scalar quantityd77_84:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com84 The DISTANCE action with label d77_84 calculates a scalar quantityd77_85:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com85 The DISTANCE action with label d77_85 calculates a scalar quantityd77_86:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com86 The DISTANCE action with label d77_86 calculates a scalar quantityd77_87:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com87 The DISTANCE action with label d77_87 calculates a scalar quantityd77_88:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com88 The DISTANCE action with label d77_88 calculates a scalar quantityd77_89:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com89 The DISTANCE action with label d77_89 calculates a scalar quantityd77_90:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com90 The DISTANCE action with label d77_90 calculates a scalar quantityd77_91:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com91 The DISTANCE action with label d77_91 calculates a scalar quantityd77_92:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com92 ## Sorting values of distances The DISTANCE action with label d77_92 calculates a scalar quantitysort77:the pair of atom that we are calculating the distance betweenSORTThis function can be used to sort colvars according to their magnitudes. More detailsARG=d77_64,d77_65,d77_66,d77_67,d77_68,d77_69,d77_70,d77_71,d77_72,d77_73,d77_74,d77_75,d77_76,d77_78,d77_79,d77_80,d77_81,d77_82,d77_83,d77_84,d77_85,d77_86,d77_87,d77_88,d77_89,d77_90,d77_91,d77_92 ## Coordination number between the bases com co77:the input to this functionCOORDINATIONCalculate coordination numbers. More detailsR_0=0.4The r_0 parameter of the switching functionGROUPA=com77First list of atomsGROUPB=com64,com65,com66,com67,com68,com69,com70,com71,com72,com73,com74,com75,com76,com78,com79,com80,com81,com82,com83,com84,com85,com86,com87,com88,com89,com90,com91,com92 #biased ### Residue78 ## Distances between COMs The COORDINATION action with label co77 calculates a scalar quantityd78_64:Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com64 The DISTANCE action with label d78_64 calculates a scalar quantityd78_65:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com65 The DISTANCE action with label d78_65 calculates a scalar quantityd78_66:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com66 The DISTANCE action with label d78_66 calculates a scalar quantityd78_67:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com67 The DISTANCE action with label d78_67 calculates a scalar quantityd78_68:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com68 The DISTANCE action with label d78_68 calculates a scalar quantityd78_69:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com69 The DISTANCE action with label d78_69 calculates a scalar quantityd78_70:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com70 The DISTANCE action with label d78_70 calculates a scalar quantityd78_71:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com71 The DISTANCE action with label d78_71 calculates a scalar quantityd78_72:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com72 The DISTANCE action with label d78_72 calculates a scalar quantityd78_73:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com73 The DISTANCE action with label d78_73 calculates a scalar quantityd78_74:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com74 The DISTANCE action with label d78_74 calculates a scalar quantityd78_75:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com75 The DISTANCE action with label d78_75 calculates a scalar quantityd78_76:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com76 The DISTANCE action with label d78_76 calculates a scalar quantityd78_77:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com77 The DISTANCE action with label d78_77 calculates a scalar quantityd78_79:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com79 The DISTANCE action with label d78_79 calculates a scalar quantityd78_80:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com80 The DISTANCE action with label d78_80 calculates a scalar quantityd78_81:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com81 The DISTANCE action with label d78_81 calculates a scalar quantityd78_82:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com82 The DISTANCE action with label d78_82 calculates a scalar quantityd78_83:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com83 The DISTANCE action with label d78_83 calculates a scalar quantityd78_84:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com84 The DISTANCE action with label d78_84 calculates a scalar quantityd78_85:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com85 The DISTANCE action with label d78_85 calculates a scalar quantityd78_86:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com86 The DISTANCE action with label d78_86 calculates a scalar quantityd78_87:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com87 The DISTANCE action with label d78_87 calculates a scalar quantityd78_88:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com88 The DISTANCE action with label d78_88 calculates a scalar quantityd78_89:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com89 The DISTANCE action with label d78_89 calculates a scalar quantityd78_90:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com90 The DISTANCE action with label d78_90 calculates a scalar quantityd78_91:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com91 The DISTANCE action with label d78_91 calculates a scalar quantityd78_92:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com92 ## Sorting values of distances The DISTANCE action with label d78_92 calculates a scalar quantitysort78:the pair of atom that we are calculating the distance betweenSORTThis function can be used to sort colvars according to their magnitudes. More detailsARG=d78_64,d78_65,d78_66,d78_67,d78_68,d78_69,d78_70,d78_71,d78_72,d78_73,d78_74,d78_75,d78_76,d78_77,d78_79,d78_80,d78_81,d78_82,d78_83,d78_84,d78_85,d78_86,d78_87,d78_88,d78_89,d78_90,d78_91,d78_92 ## Coordination number between the bases com co78:the input to this functionCOORDINATIONCalculate coordination numbers. More detailsR_0=0.4The r_0 parameter of the switching functionGROUPA=com78First list of atomsGROUPB=com64,com65,com66,com67,com68,com69,com70,com71,com72,com73,com74,com75,com76,com77,com79,com80,com81,com82,com83,com84,com85,com86,com87,com88,com89,com90,com91,com92 #biased ### Residue79 ## Distances between COMs The COORDINATION action with label co78 calculates a scalar quantityd79_64:Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com64 The DISTANCE action with label d79_64 calculates a scalar quantityd79_65:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com65 The DISTANCE action with label d79_65 calculates a scalar quantityd79_66:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com66 The DISTANCE action with label d79_66 calculates a scalar quantityd79_67:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com67 The DISTANCE action with label d79_67 calculates a scalar quantityd79_68:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com68 The DISTANCE action with label d79_68 calculates a scalar quantityd79_69:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com69 The DISTANCE action with label d79_69 calculates a scalar quantityd79_70:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com70 The DISTANCE action with label d79_70 calculates a scalar quantityd79_71:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com71 The DISTANCE action with label d79_71 calculates a scalar quantityd79_72:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com72 The DISTANCE action with label d79_72 calculates a scalar quantityd79_73:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com73 The DISTANCE action with label d79_73 calculates a scalar quantityd79_74:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com74 The DISTANCE action with label d79_74 calculates a scalar quantityd79_75:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com75 The DISTANCE action with label d79_75 calculates a scalar quantityd79_76:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com76 The DISTANCE action with label d79_76 calculates a scalar quantityd79_77:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com77 The DISTANCE action with label d79_77 calculates a scalar quantityd79_78:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com78 The DISTANCE action with label d79_78 calculates a scalar quantityd79_80:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com80 The DISTANCE action with label d79_80 calculates a scalar quantityd79_81:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com81 The DISTANCE action with label d79_81 calculates a scalar quantityd79_82:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com82 The DISTANCE action with label d79_82 calculates a scalar quantityd79_83:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com83 The DISTANCE action with label d79_83 calculates a scalar quantityd79_84:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com84 The DISTANCE action with label d79_84 calculates a scalar quantityd79_85:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com85 The DISTANCE action with label d79_85 calculates a scalar quantityd79_86:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com86 The DISTANCE action with label d79_86 calculates a scalar quantityd79_87:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com87 The DISTANCE action with label d79_87 calculates a scalar quantityd79_88:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com88 The DISTANCE action with label d79_88 calculates a scalar quantityd79_89:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com89 The DISTANCE action with label d79_89 calculates a scalar quantityd79_90:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com90 The DISTANCE action with label d79_90 calculates a scalar quantityd79_91:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com91 The DISTANCE action with label d79_91 calculates a scalar quantityd79_92:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com92 ## Sorting values of distances The DISTANCE action with label d79_92 calculates a scalar quantitysort79:the pair of atom that we are calculating the distance betweenSORTThis function can be used to sort colvars according to their magnitudes. More detailsARG=d79_64,d79_65,d79_66,d79_67,d79_68,d79_69,d79_70,d79_71,d79_72,d79_73,d79_74,d79_75,d79_76,d79_77,d79_78,d79_80,d79_81,d79_82,d79_83,d79_84,d79_85,d79_86,d79_87,d79_88,d79_89,d79_90,d79_91,d79_92 ## Coordination number between the bases com co79:the input to this functionCOORDINATIONCalculate coordination numbers. More detailsR_0=0.4The r_0 parameter of the switching functionGROUPA=com79First list of atomsGROUPB=com64,com65,com66,com67,com68,com69,com70,com71,com72,com73,com74,com75,com76,com77,com78,com80,com81,com82,com83,com84,com85,com86,com87,com88,com89,com90,com91,com92 #biased # --- End of included input --- The COORDINATION action with label co79 calculates a scalar quantitySecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)INCLUDEIncludes an external input file, similar to #include in C preprocessor. More details. Show included fileFILE=plu_maxent_NOE_RECT.dat # The command: # INCLUDE FILE=plu_maxent_NOE_RECT.dat # ensures PLUMED loads the contents of the file called plu_maxent_NOE_RECT.dat # The contents of this file are shown below (click the red comment to hide them). #RESTART #MOLINFO STRUCTURE=SB2_151216_1.pdb MOLTYPE=rna d_70_RG_H1-71_RG_H1:file to be includedDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=206,240 The DISTANCE action with label d_70_RG_H1-71_RG_H1 calculates a scalar quantitysignal_70_RG_H1-71_RG_H1:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_70_RG_H1-71_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_71_RG_H1-72_RU_H3:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=240,274 The DISTANCE action with label d_71_RG_H1-72_RU_H3 calculates a scalar quantitysignal_71_RG_H1-72_RU_H3:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_71_RG_H1-72_RU_H3the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_72_RU_H3-73_RG_H1:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=274,304 The DISTANCE action with label d_72_RU_H3-73_RG_H1 calculates a scalar quantitysignal_72_RU_H3-73_RG_H1:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_72_RU_H3-73_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_73_RG_H1-74_RG_H1:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=304,338 The DISTANCE action with label d_73_RG_H1-74_RG_H1 calculates a scalar quantitysignal_73_RG_H1-74_RG_H1:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_73_RG_H1-74_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_70_RG_H1-86_RC_H41:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=206,721 The DISTANCE action with label d_70_RG_H1-86_RC_H41 calculates a scalar quantitysignal_70_RG_H1-86_RC_H41:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_70_RG_H1-86_RC_H41the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_70_RG_H1-86_RC_H42:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=206,722 The DISTANCE action with label d_70_RG_H1-86_RC_H42 calculates a scalar quantitysignal_70_RG_H1-86_RC_H42:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_70_RG_H1-86_RC_H42the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_71_RG_H1-85_RC_H41:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=240,690 The DISTANCE action with label d_71_RG_H1-85_RC_H41 calculates a scalar quantitysignal_71_RG_H1-85_RC_H41:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_71_RG_H1-85_RC_H41the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_71_RG_H1-85_RC_H42:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=240,691 The DISTANCE action with label d_71_RG_H1-85_RC_H42 calculates a scalar quantitysignal_71_RG_H1-85_RC_H42:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_71_RG_H1-85_RC_H42the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_72_RU_H3-84_RA_H2:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=274,661 The DISTANCE action with label d_72_RU_H3-84_RA_H2 calculates a scalar quantitysignal_72_RU_H3-84_RA_H2:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_72_RU_H3-84_RA_H2the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_73_RG_H1-83_RC_H41:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=304,626 The DISTANCE action with label d_73_RG_H1-83_RC_H41 calculates a scalar quantitysignal_73_RG_H1-83_RC_H41:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_73_RG_H1-83_RC_H41the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_73_RG_H1-83_RC_H42:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=304,627 The DISTANCE action with label d_73_RG_H1-83_RC_H42 calculates a scalar quantitysignal_73_RG_H1-83_RC_H42:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_73_RG_H1-83_RC_H42the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_74_RG_H1-82_RC_H41:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=338,595 The DISTANCE action with label d_74_RG_H1-82_RC_H41 calculates a scalar quantitysignal_74_RG_H1-82_RC_H41:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_74_RG_H1-82_RC_H41the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_74_RG_H1-82_RC_H42:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=338,596 The DISTANCE action with label d_74_RG_H1-82_RC_H42 calculates a scalar quantitysignal_74_RG_H1-82_RC_H42:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_74_RG_H1-82_RC_H42the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_64_RC5_H6-64_RC5_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_64_RC5_H6-64_RC5_H1'")'>d_64_RC5_H6-64_RC5_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=13,10 The DISTANCE action with label d_64_RC5_H6-64_RC5_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_64_RC5_H6-64_RC5_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_64_RC5_H6-64_RC5_H1'")'>signal_64_RC5_H6-64_RC5_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_64_RC5_H6-64_RC5_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_65_RC_H6-64_RC5_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_65_RC_H6-64_RC5_H1'")'>d_65_RC_H6-64_RC5_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=44,10 The DISTANCE action with label d_65_RC_H6-64_RC5_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_65_RC_H6-64_RC5_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_65_RC_H6-64_RC5_H1'")'>signal_65_RC_H6-64_RC5_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_65_RC_H6-64_RC5_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_66_RU_H6-65_RC_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_66_RU_H6-65_RC_H1'")'>d_66_RU_H6-65_RC_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=75,41 The DISTANCE action with label d_66_RU_H6-65_RC_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_66_RU_H6-65_RC_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_66_RU_H6-65_RC_H1'")'>signal_66_RU_H6-65_RC_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_66_RU_H6-65_RC_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_66_RU_H6-65_RC_H6:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=75,44 The DISTANCE action with label d_66_RU_H6-65_RC_H6 calculates a scalar quantitysignal_66_RU_H6-65_RC_H6:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_66_RU_H6-65_RC_H6the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_67_RC_H6-66_RU_H6:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=105,75 The DISTANCE action with label d_67_RC_H6-66_RU_H6 calculates a scalar quantitysignal_67_RC_H6-66_RU_H6:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_67_RC_H6-66_RU_H6the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_67_RC_H6-68_RG_H8:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=105,136 The DISTANCE action with label d_67_RC_H6-68_RG_H8 calculates a scalar quantitysignal_67_RC_H6-68_RG_H8:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_67_RC_H6-68_RG_H8the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_67_RC_H6-67_RC_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_67_RC_H6-67_RC_H1'")'>d_67_RC_H6-67_RC_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=105,102 The DISTANCE action with label d_67_RC_H6-67_RC_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_67_RC_H6-67_RC_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_67_RC_H6-67_RC_H1'")'>signal_67_RC_H6-67_RC_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_67_RC_H6-67_RC_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_67_RC_H6-66_RU_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_67_RC_H6-66_RU_H1'")'>d_67_RC_H6-66_RU_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=105,72 The DISTANCE action with label d_67_RC_H6-66_RU_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_67_RC_H6-66_RU_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_67_RC_H6-66_RU_H1'")'>signal_67_RC_H6-66_RU_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_67_RC_H6-66_RU_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_68_RG_H8-68_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_68_RG_H8-68_RG_H1'")'>d_68_RG_H8-68_RG_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=136,133 The DISTANCE action with label d_68_RG_H8-68_RG_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_68_RG_H8-68_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_68_RG_H8-68_RG_H1'")'>signal_68_RG_H8-68_RG_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_68_RG_H8-68_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_68_RG_H8-67_RC_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_68_RG_H8-67_RC_H1'")'>d_68_RG_H8-67_RC_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=136,102 The DISTANCE action with label d_68_RG_H8-67_RC_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_68_RG_H8-67_RC_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_68_RG_H8-67_RC_H1'")'>signal_68_RG_H8-67_RC_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_68_RG_H8-67_RC_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_68_RG_H8-69_RU_H5:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=136,172 The DISTANCE action with label d_68_RG_H8-69_RU_H5 calculates a scalar quantitysignal_68_RG_H8-69_RU_H5:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_68_RG_H8-69_RU_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_68_RG_H1'-69_RU_H5" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_68_RG_H1'-69_RU_H5")'>d_68_RG_H1'-69_RU_H5</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=133,172 The DISTANCE action with label d_68_RG_H1'-69_RU_H5 calculates a scalar quantity<b name="data/plumed.6.datsignal_68_RG_H1'-69_RU_H5" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_68_RG_H1'-69_RU_H5")'>signal_68_RG_H1'-69_RU_H5</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_68_RG_H1'-69_RU_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_69_RU_H6-69_RU_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_69_RU_H6-69_RU_H1'")'>d_69_RU_H6-69_RU_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=170,167 The DISTANCE action with label d_69_RU_H6-69_RU_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_69_RU_H6-69_RU_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_69_RU_H6-69_RU_H1'")'>signal_69_RU_H6-69_RU_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_69_RU_H6-69_RU_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_69_RU_H6-68_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_69_RU_H6-68_RG_H1'")'>d_69_RU_H6-68_RG_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=170,133 The DISTANCE action with label d_69_RU_H6-68_RG_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_69_RU_H6-68_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_69_RU_H6-68_RG_H1'")'>signal_69_RU_H6-68_RG_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_69_RU_H6-68_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_69_RU_H1'-69_RU_H5" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_69_RU_H1'-69_RU_H5")'>d_69_RU_H1'-69_RU_H5</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=167,172 The DISTANCE action with label d_69_RU_H1'-69_RU_H5 calculates a scalar quantity<b name="data/plumed.6.datsignal_69_RU_H1'-69_RU_H5" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_69_RU_H1'-69_RU_H5")'>signal_69_RU_H1'-69_RU_H5</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_69_RU_H1'-69_RU_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_70_RG_H8-71_RG_H8:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=200,234 The DISTANCE action with label d_70_RG_H8-71_RG_H8 calculates a scalar quantitysignal_70_RG_H8-71_RG_H8:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_70_RG_H8-71_RG_H8the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_70_RG_H8-70_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_70_RG_H8-70_RG_H1'")'>d_70_RG_H8-70_RG_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=200,197 The DISTANCE action with label d_70_RG_H8-70_RG_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_70_RG_H8-70_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_70_RG_H8-70_RG_H1'")'>signal_70_RG_H8-70_RG_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_70_RG_H8-70_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_70_RG_H8-69_RU_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_70_RG_H8-69_RU_H1'")'>d_70_RG_H8-69_RU_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=200,167 The DISTANCE action with label d_70_RG_H8-69_RU_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_70_RG_H8-69_RU_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_70_RG_H8-69_RU_H1'")'>signal_70_RG_H8-69_RU_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_70_RG_H8-69_RU_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_71_RG_H8-72_RU_H6:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=234,268 The DISTANCE action with label d_71_RG_H8-72_RU_H6 calculates a scalar quantitysignal_71_RG_H8-72_RU_H6:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_71_RG_H8-72_RU_H6the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_71_RG_H8-70_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_71_RG_H8-70_RG_H1'")'>d_71_RG_H8-70_RG_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=234,197 The DISTANCE action with label d_71_RG_H8-70_RG_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_71_RG_H8-70_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_71_RG_H8-70_RG_H1'")'>signal_71_RG_H8-70_RG_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_71_RG_H8-70_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_71_RG_H8-71_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_71_RG_H8-71_RG_H1'")'>d_71_RG_H8-71_RG_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=234,231 The DISTANCE action with label d_71_RG_H8-71_RG_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_71_RG_H8-71_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_71_RG_H8-71_RG_H1'")'>signal_71_RG_H8-71_RG_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_71_RG_H8-71_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_71_RG_H8-72_RU_H5:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=234,270 The DISTANCE action with label d_71_RG_H8-72_RU_H5 calculates a scalar quantitysignal_71_RG_H8-72_RU_H5:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_71_RG_H8-72_RU_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_71_RG_H1'-72_RU_H5" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_71_RG_H1'-72_RU_H5")'>d_71_RG_H1'-72_RU_H5</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=231,270 The DISTANCE action with label d_71_RG_H1'-72_RU_H5 calculates a scalar quantity<b name="data/plumed.6.datsignal_71_RG_H1'-72_RU_H5" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_71_RG_H1'-72_RU_H5")'>signal_71_RG_H1'-72_RU_H5</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_71_RG_H1'-72_RU_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_72_RU_H6-72_RU_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_72_RU_H6-72_RU_H1'")'>d_72_RU_H6-72_RU_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=268,265 The DISTANCE action with label d_72_RU_H6-72_RU_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_72_RU_H6-72_RU_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_72_RU_H6-72_RU_H1'")'>signal_72_RU_H6-72_RU_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_72_RU_H6-72_RU_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_72_RU_H1'-72_RU_H5" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_72_RU_H1'-72_RU_H5")'>d_72_RU_H1'-72_RU_H5</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=265,270 The DISTANCE action with label d_72_RU_H1'-72_RU_H5 calculates a scalar quantity<b name="data/plumed.6.datsignal_72_RU_H1'-72_RU_H5" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_72_RU_H1'-72_RU_H5")'>signal_72_RU_H1'-72_RU_H5</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_72_RU_H1'-72_RU_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_73_RG_H8-72_RU_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_73_RG_H8-72_RU_H1'")'>d_73_RG_H8-72_RU_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=298,265 The DISTANCE action with label d_73_RG_H8-72_RU_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_73_RG_H8-72_RU_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_73_RG_H8-72_RU_H1'")'>signal_73_RG_H8-72_RU_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_73_RG_H8-72_RU_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_73_RG_H8-73_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_73_RG_H8-73_RG_H1'")'>d_73_RG_H8-73_RG_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=298,295 The DISTANCE action with label d_73_RG_H8-73_RG_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_73_RG_H8-73_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_73_RG_H8-73_RG_H1'")'>signal_73_RG_H8-73_RG_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_73_RG_H8-73_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_73_RG_H8-72_RU_H5:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=298,270 The DISTANCE action with label d_73_RG_H8-72_RU_H5 calculates a scalar quantitysignal_73_RG_H8-72_RU_H5:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_73_RG_H8-72_RU_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_74_RG_H8-73_RG_H8:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=332,298 The DISTANCE action with label d_74_RG_H8-73_RG_H8 calculates a scalar quantitysignal_74_RG_H8-73_RG_H8:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_74_RG_H8-73_RG_H8the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_74_RG_H8-75_RU_H6:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=332,366 The DISTANCE action with label d_74_RG_H8-75_RU_H6 calculates a scalar quantitysignal_74_RG_H8-75_RU_H6:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_74_RG_H8-75_RU_H6the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_74_RG_H8-73_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_74_RG_H8-73_RG_H1'")'>d_74_RG_H8-73_RG_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=332,295 The DISTANCE action with label d_74_RG_H8-73_RG_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_74_RG_H8-73_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_74_RG_H8-73_RG_H1'")'>signal_74_RG_H8-73_RG_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_74_RG_H8-73_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_74_RG_H8-74_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_74_RG_H8-74_RG_H1'")'>d_74_RG_H8-74_RG_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=332,329 The DISTANCE action with label d_74_RG_H8-74_RG_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_74_RG_H8-74_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_74_RG_H8-74_RG_H1'")'>signal_74_RG_H8-74_RG_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_74_RG_H8-74_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_74_RG_H8-75_RU_H5:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=332,368 The DISTANCE action with label d_74_RG_H8-75_RU_H5 calculates a scalar quantitysignal_74_RG_H8-75_RU_H5:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_74_RG_H8-75_RU_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_74_RG_H1'-75_RU_H5" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_74_RG_H1'-75_RU_H5")'>d_74_RG_H1'-75_RU_H5</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=329,368 The DISTANCE action with label d_74_RG_H1'-75_RU_H5 calculates a scalar quantity<b name="data/plumed.6.datsignal_74_RG_H1'-75_RU_H5" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_74_RG_H1'-75_RU_H5")'>signal_74_RG_H1'-75_RU_H5</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_74_RG_H1'-75_RU_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_75_RU_H6-74_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_75_RU_H6-74_RG_H1'")'>d_75_RU_H6-74_RG_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=366,329 The DISTANCE action with label d_75_RU_H6-74_RG_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_75_RU_H6-74_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_75_RU_H6-74_RG_H1'")'>signal_75_RU_H6-74_RG_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_75_RU_H6-74_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_75_RU_H6-75_RU_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_75_RU_H6-75_RU_H1'")'>d_75_RU_H6-75_RU_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=366,363 The DISTANCE action with label d_75_RU_H6-75_RU_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_75_RU_H6-75_RU_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_75_RU_H6-75_RU_H1'")'>signal_75_RU_H6-75_RU_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_75_RU_H6-75_RU_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_75_RU_H6-76_RU_H6:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=366,396 The DISTANCE action with label d_75_RU_H6-76_RU_H6 calculates a scalar quantitysignal_75_RU_H6-76_RU_H6:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_75_RU_H6-76_RU_H6the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_75_RU_H1'-75_RU_H5" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_75_RU_H1'-75_RU_H5")'>d_75_RU_H1'-75_RU_H5</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=363,368 The DISTANCE action with label d_75_RU_H1'-75_RU_H5 calculates a scalar quantity<b name="data/plumed.6.datsignal_75_RU_H1'-75_RU_H5" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_75_RU_H1'-75_RU_H5")'>signal_75_RU_H1'-75_RU_H5</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_75_RU_H1'-75_RU_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_75_RU_H5-76_RU_H5:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=368,398 The DISTANCE action with label d_75_RU_H5-76_RU_H5 calculates a scalar quantitysignal_75_RU_H5-76_RU_H5:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_75_RU_H5-76_RU_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_76_RU_H6-76_RU_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_76_RU_H6-76_RU_H1'")'>d_76_RU_H6-76_RU_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=396,393 The DISTANCE action with label d_76_RU_H6-76_RU_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_76_RU_H6-76_RU_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_76_RU_H6-76_RU_H1'")'>signal_76_RU_H6-76_RU_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_76_RU_H6-76_RU_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_76_RU_H6-75_RU_H5:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=396,368 The DISTANCE action with label d_76_RU_H6-75_RU_H5 calculates a scalar quantitysignal_76_RU_H6-75_RU_H5:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_76_RU_H6-75_RU_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_77_RG_H8-76_RU_H6:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=426,396 The DISTANCE action with label d_77_RG_H8-76_RU_H6 calculates a scalar quantitysignal_77_RG_H8-76_RU_H6:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_77_RG_H8-76_RU_H6the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_77_RG_H8-78_RU_H6:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=426,460 The DISTANCE action with label d_77_RG_H8-78_RU_H6 calculates a scalar quantitysignal_77_RG_H8-78_RU_H6:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_77_RG_H8-78_RU_H6the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_77_RG_H8-77_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_77_RG_H8-77_RG_H1'")'>d_77_RG_H8-77_RG_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=426,423 The DISTANCE action with label d_77_RG_H8-77_RG_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_77_RG_H8-77_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_77_RG_H8-77_RG_H1'")'>signal_77_RG_H8-77_RG_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_77_RG_H8-77_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_77_RG_H8-76_RU_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_77_RG_H8-76_RU_H1'")'>d_77_RG_H8-76_RU_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=426,393 The DISTANCE action with label d_77_RG_H8-76_RU_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_77_RG_H8-76_RU_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_77_RG_H8-76_RU_H1'")'>signal_77_RG_H8-76_RU_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_77_RG_H8-76_RU_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_77_RG_H8-76_RU_H5:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=426,398 The DISTANCE action with label d_77_RG_H8-76_RU_H5 calculates a scalar quantitysignal_77_RG_H8-76_RU_H5:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_77_RG_H8-76_RU_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_78_RU_H6-78_RU_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_78_RU_H6-78_RU_H1'")'>d_78_RU_H6-78_RU_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=460,457 The DISTANCE action with label d_78_RU_H6-78_RU_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_78_RU_H6-78_RU_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_78_RU_H6-78_RU_H1'")'>signal_78_RU_H6-78_RU_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_78_RU_H6-78_RU_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_78_RU_H6-79_RG_H8:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=460,490 The DISTANCE action with label d_78_RU_H6-79_RG_H8 calculates a scalar quantitysignal_78_RU_H6-79_RG_H8:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_78_RU_H6-79_RG_H8the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_79_RG_H8-78_RU_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_79_RG_H8-78_RU_H1'")'>d_79_RG_H8-78_RU_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=490,457 The DISTANCE action with label d_79_RG_H8-78_RU_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_79_RG_H8-78_RU_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_79_RG_H8-78_RU_H1'")'>signal_79_RG_H8-78_RU_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_79_RG_H8-78_RU_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_79_RG_H8-79_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_79_RG_H8-79_RG_H1'")'>d_79_RG_H8-79_RG_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=490,487 The DISTANCE action with label d_79_RG_H8-79_RG_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_79_RG_H8-79_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_79_RG_H8-79_RG_H1'")'>signal_79_RG_H8-79_RG_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_79_RG_H8-79_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_79_RG_H8-77_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_79_RG_H8-77_RG_H1'")'>d_79_RG_H8-77_RG_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=490,423 The DISTANCE action with label d_79_RG_H8-77_RG_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_79_RG_H8-77_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_79_RG_H8-77_RG_H1'")'>signal_79_RG_H8-77_RG_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_79_RG_H8-77_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_80_RA_H8-79_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_80_RA_H8-79_RG_H1'")'>d_80_RA_H8-79_RG_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=524,487 The DISTANCE action with label d_80_RA_H8-79_RG_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_80_RA_H8-79_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_80_RA_H8-79_RG_H1'")'>signal_80_RA_H8-79_RG_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_80_RA_H8-79_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_80_RA_H8-80_RA_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_80_RA_H8-80_RA_H1'")'>d_80_RA_H8-80_RA_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=524,521 The DISTANCE action with label d_80_RA_H8-80_RA_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_80_RA_H8-80_RA_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_80_RA_H8-80_RA_H1'")'>signal_80_RA_H8-80_RA_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_80_RA_H8-80_RA_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_80_RA_H8-79_RG_H8:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=524,490 The DISTANCE action with label d_80_RA_H8-79_RG_H8 calculates a scalar quantitysignal_80_RA_H8-79_RG_H8:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_80_RA_H8-79_RG_H8the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_80_RA_H8-81_RA_H8:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=524,557 The DISTANCE action with label d_80_RA_H8-81_RA_H8 calculates a scalar quantitysignal_80_RA_H8-81_RA_H8:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_80_RA_H8-81_RA_H8the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_80_RA_H2-77_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_80_RA_H2-77_RG_H1'")'>d_80_RA_H2-77_RG_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=533,423 The DISTANCE action with label d_80_RA_H2-77_RG_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_80_RA_H2-77_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_80_RA_H2-77_RG_H1'")'>signal_80_RA_H2-77_RG_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_80_RA_H2-77_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_80_RA_H2-79_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_80_RA_H2-79_RG_H1'")'>d_80_RA_H2-79_RG_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=533,487 The DISTANCE action with label d_80_RA_H2-79_RG_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_80_RA_H2-79_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_80_RA_H2-79_RG_H1'")'>signal_80_RA_H2-79_RG_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_80_RA_H2-79_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_80_RA_H2-81_RA_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_80_RA_H2-81_RA_H1'")'>d_80_RA_H2-81_RA_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=533,554 The DISTANCE action with label d_80_RA_H2-81_RA_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_80_RA_H2-81_RA_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_80_RA_H2-81_RA_H1'")'>signal_80_RA_H2-81_RA_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_80_RA_H2-81_RA_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_80_RA_H2-79_RG_H8:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=533,490 The DISTANCE action with label d_80_RA_H2-79_RG_H8 calculates a scalar quantitysignal_80_RA_H2-79_RG_H8:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_80_RA_H2-79_RG_H8the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_80_RA_H2-81_RA_H8:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=533,557 The DISTANCE action with label d_80_RA_H2-81_RA_H8 calculates a scalar quantitysignal_80_RA_H2-81_RA_H8:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_80_RA_H2-81_RA_H8the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_80_RA_H2-81_RA_H2:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=533,566 The DISTANCE action with label d_80_RA_H2-81_RA_H2 calculates a scalar quantitysignal_80_RA_H2-81_RA_H2:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_80_RA_H2-81_RA_H2the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_81_RA_H8-82_RC_H6:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=557,590 The DISTANCE action with label d_81_RA_H8-82_RC_H6 calculates a scalar quantitysignal_81_RA_H8-82_RC_H6:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_81_RA_H8-82_RC_H6the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_81_RA_H8-80_RA_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_81_RA_H8-80_RA_H1'")'>d_81_RA_H8-80_RA_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=557,521 The DISTANCE action with label d_81_RA_H8-80_RA_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_81_RA_H8-80_RA_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_81_RA_H8-80_RA_H1'")'>signal_81_RA_H8-80_RA_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_81_RA_H8-80_RA_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_81_RA_H8-81_RA_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_81_RA_H8-81_RA_H1'")'>d_81_RA_H8-81_RA_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=557,554 The DISTANCE action with label d_81_RA_H8-81_RA_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_81_RA_H8-81_RA_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_81_RA_H8-81_RA_H1'")'>signal_81_RA_H8-81_RA_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_81_RA_H8-81_RA_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_81_RA_H8-82_RC_H5:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=557,592 The DISTANCE action with label d_81_RA_H8-82_RC_H5 calculates a scalar quantitysignal_81_RA_H8-82_RC_H5:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_81_RA_H8-82_RC_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_81_RA_H2-81_RA_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_81_RA_H2-81_RA_H1'")'>d_81_RA_H2-81_RA_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=566,554 The DISTANCE action with label d_81_RA_H2-81_RA_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_81_RA_H2-81_RA_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_81_RA_H2-81_RA_H1'")'>signal_81_RA_H2-81_RA_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_81_RA_H2-81_RA_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_81_RA_H2-76_RU_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_81_RA_H2-76_RU_H1'")'>d_81_RA_H2-76_RU_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=566,393 The DISTANCE action with label d_81_RA_H2-76_RU_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_81_RA_H2-76_RU_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_81_RA_H2-76_RU_H1'")'>signal_81_RA_H2-76_RU_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_81_RA_H2-76_RU_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_81_RA_H2-82_RC_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_81_RA_H2-82_RC_H1'")'>d_81_RA_H2-82_RC_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=566,587 The DISTANCE action with label d_81_RA_H2-82_RC_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_81_RA_H2-82_RC_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_81_RA_H2-82_RC_H1'")'>signal_81_RA_H2-82_RC_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_81_RA_H2-82_RC_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_81_RA_H1'-80_RA_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_81_RA_H1'-80_RA_H1'")'>d_81_RA_H1'-80_RA_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=554,521 The DISTANCE action with label d_81_RA_H1'-80_RA_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_81_RA_H1'-80_RA_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_81_RA_H1'-80_RA_H1'")'>signal_81_RA_H1'-80_RA_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_81_RA_H1'-80_RA_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_81_RA_H1'-82_RC_H5" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_81_RA_H1'-82_RC_H5")'>d_81_RA_H1'-82_RC_H5</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=554,592 The DISTANCE action with label d_81_RA_H1'-82_RC_H5 calculates a scalar quantity<b name="data/plumed.6.datsignal_81_RA_H1'-82_RC_H5" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_81_RA_H1'-82_RC_H5")'>signal_81_RA_H1'-82_RC_H5</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_81_RA_H1'-82_RC_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_82_RC_H6-83_RC_H6:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=590,621 The DISTANCE action with label d_82_RC_H6-83_RC_H6 calculates a scalar quantitysignal_82_RC_H6-83_RC_H6:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_82_RC_H6-83_RC_H6the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_82_RC_H6-81_RA_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_82_RC_H6-81_RA_H1'")'>d_82_RC_H6-81_RA_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=590,554 The DISTANCE action with label d_82_RC_H6-81_RA_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_82_RC_H6-81_RA_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_82_RC_H6-81_RA_H1'")'>signal_82_RC_H6-81_RA_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_82_RC_H6-81_RA_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_82_RC_H6-82_RC_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_82_RC_H6-82_RC_H1'")'>d_82_RC_H6-82_RC_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=590,587 The DISTANCE action with label d_82_RC_H6-82_RC_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_82_RC_H6-82_RC_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_82_RC_H6-82_RC_H1'")'>signal_82_RC_H6-82_RC_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_82_RC_H6-82_RC_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_82_RC_H1'-82_RC_H5" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_82_RC_H1'-82_RC_H5")'>d_82_RC_H1'-82_RC_H5</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=587,592 The DISTANCE action with label d_82_RC_H1'-82_RC_H5 calculates a scalar quantity<b name="data/plumed.6.datsignal_82_RC_H1'-82_RC_H5" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_82_RC_H1'-82_RC_H5")'>signal_82_RC_H1'-82_RC_H5</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_82_RC_H1'-82_RC_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_82_RC_H5-83_RC_H5:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=592,623 The DISTANCE action with label d_82_RC_H5-83_RC_H5 calculates a scalar quantitysignal_82_RC_H5-83_RC_H5:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_82_RC_H5-83_RC_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_83_RC_H6-82_RC_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_83_RC_H6-82_RC_H1'")'>d_83_RC_H6-82_RC_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=621,587 The DISTANCE action with label d_83_RC_H6-82_RC_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_83_RC_H6-82_RC_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_83_RC_H6-82_RC_H1'")'>signal_83_RC_H6-82_RC_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_83_RC_H6-82_RC_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_83_RC_H6-83_RC_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_83_RC_H6-83_RC_H1'")'>d_83_RC_H6-83_RC_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=621,618 The DISTANCE action with label d_83_RC_H6-83_RC_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_83_RC_H6-83_RC_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_83_RC_H6-83_RC_H1'")'>signal_83_RC_H6-83_RC_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_83_RC_H6-83_RC_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_84_RA_H8-83_RC_H6:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=652,621 The DISTANCE action with label d_84_RA_H8-83_RC_H6 calculates a scalar quantitysignal_84_RA_H8-83_RC_H6:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_84_RA_H8-83_RC_H6the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_84_RA_H8-85_RC_H6:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=652,685 The DISTANCE action with label d_84_RA_H8-85_RC_H6 calculates a scalar quantitysignal_84_RA_H8-85_RC_H6:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_84_RA_H8-85_RC_H6the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_84_RA_H8-83_RC_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_84_RA_H8-83_RC_H1'")'>d_84_RA_H8-83_RC_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=652,618 The DISTANCE action with label d_84_RA_H8-83_RC_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_84_RA_H8-83_RC_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_84_RA_H8-83_RC_H1'")'>signal_84_RA_H8-83_RC_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_84_RA_H8-83_RC_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_84_RA_H8-84_RA_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_84_RA_H8-84_RA_H1'")'>d_84_RA_H8-84_RA_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=652,649 The DISTANCE action with label d_84_RA_H8-84_RA_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_84_RA_H8-84_RA_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_84_RA_H8-84_RA_H1'")'>signal_84_RA_H8-84_RA_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_84_RA_H8-84_RA_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_84_RA_H8-83_RC_H5:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=652,623 The DISTANCE action with label d_84_RA_H8-83_RC_H5 calculates a scalar quantitysignal_84_RA_H8-83_RC_H5:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_84_RA_H8-83_RC_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_84_RA_H8-85_RC_H5:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=652,687 The DISTANCE action with label d_84_RA_H8-85_RC_H5 calculates a scalar quantitysignal_84_RA_H8-85_RC_H5:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_84_RA_H8-85_RC_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_84_RA_H2-84_RA_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_84_RA_H2-84_RA_H1'")'>d_84_RA_H2-84_RA_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=661,649 The DISTANCE action with label d_84_RA_H2-84_RA_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_84_RA_H2-84_RA_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_84_RA_H2-84_RA_H1'")'>signal_84_RA_H2-84_RA_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_84_RA_H2-84_RA_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_84_RA_H2-73_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_84_RA_H2-73_RG_H1'")'>d_84_RA_H2-73_RG_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=661,295 The DISTANCE action with label d_84_RA_H2-73_RG_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_84_RA_H2-73_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_84_RA_H2-73_RG_H1'")'>signal_84_RA_H2-73_RG_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_84_RA_H2-73_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_84_RA_H2-85_RC_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_84_RA_H2-85_RC_H1'")'>d_84_RA_H2-85_RC_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=661,682 The DISTANCE action with label d_84_RA_H2-85_RC_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_84_RA_H2-85_RC_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_84_RA_H2-85_RC_H1'")'>signal_84_RA_H2-85_RC_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_84_RA_H2-85_RC_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_84_RA_H1'-85_RC_H5" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_84_RA_H1'-85_RC_H5")'>d_84_RA_H1'-85_RC_H5</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=649,687 The DISTANCE action with label d_84_RA_H1'-85_RC_H5 calculates a scalar quantity<b name="data/plumed.6.datsignal_84_RA_H1'-85_RC_H5" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_84_RA_H1'-85_RC_H5")'>signal_84_RA_H1'-85_RC_H5</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_84_RA_H1'-85_RC_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_85_RC_H6-84_RA_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_85_RC_H6-84_RA_H1'")'>d_85_RC_H6-84_RA_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=685,649 The DISTANCE action with label d_85_RC_H6-84_RA_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_85_RC_H6-84_RA_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_85_RC_H6-84_RA_H1'")'>signal_85_RC_H6-84_RA_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_85_RC_H6-84_RA_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_85_RC_H6-85_RC_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_85_RC_H6-85_RC_H1'")'>d_85_RC_H6-85_RC_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=685,682 The DISTANCE action with label d_85_RC_H6-85_RC_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_85_RC_H6-85_RC_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_85_RC_H6-85_RC_H1'")'>signal_85_RC_H6-85_RC_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_85_RC_H6-85_RC_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_85_RC_H1'-85_RC_H5" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_85_RC_H1'-85_RC_H5")'>d_85_RC_H1'-85_RC_H5</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=682,687 The DISTANCE action with label d_85_RC_H1'-85_RC_H5 calculates a scalar quantity<b name="data/plumed.6.datsignal_85_RC_H1'-85_RC_H5" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_85_RC_H1'-85_RC_H5")'>signal_85_RC_H1'-85_RC_H5</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_85_RC_H1'-85_RC_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_85_RC_H5-86_RC_H5:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=687,718 The DISTANCE action with label d_85_RC_H5-86_RC_H5 calculates a scalar quantitysignal_85_RC_H5-86_RC_H5:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_85_RC_H5-86_RC_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_86_RC_H6-86_RC_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_86_RC_H6-86_RC_H1'")'>d_86_RC_H6-86_RC_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=716,713 The DISTANCE action with label d_86_RC_H6-86_RC_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_86_RC_H6-86_RC_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_86_RC_H6-86_RC_H1'")'>signal_86_RC_H6-86_RC_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_86_RC_H6-86_RC_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_87_RA_H8-86_RC_H6:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=747,716 The DISTANCE action with label d_87_RA_H8-86_RC_H6 calculates a scalar quantitysignal_87_RA_H8-86_RC_H6:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_87_RA_H8-86_RC_H6the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_87_RA_H8-88_RU_H6:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=747,780 The DISTANCE action with label d_87_RA_H8-88_RU_H6 calculates a scalar quantitysignal_87_RA_H8-88_RU_H6:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_87_RA_H8-88_RU_H6the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_87_RA_H8-86_RC_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_87_RA_H8-86_RC_H1'")'>d_87_RA_H8-86_RC_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=747,713 The DISTANCE action with label d_87_RA_H8-86_RC_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_87_RA_H8-86_RC_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_87_RA_H8-86_RC_H1'")'>signal_87_RA_H8-86_RC_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_87_RA_H8-86_RC_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_87_RA_H8-87_RA_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_87_RA_H8-87_RA_H1'")'>d_87_RA_H8-87_RA_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=747,744 The DISTANCE action with label d_87_RA_H8-87_RA_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_87_RA_H8-87_RA_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_87_RA_H8-87_RA_H1'")'>signal_87_RA_H8-87_RA_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_87_RA_H8-87_RA_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_87_RA_H8-88_RU_H5:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=747,782 The DISTANCE action with label d_87_RA_H8-88_RU_H5 calculates a scalar quantitysignal_87_RA_H8-88_RU_H5:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_87_RA_H8-88_RU_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_87_RA_H2-87_RA_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_87_RA_H2-87_RA_H1'")'>d_87_RA_H2-87_RA_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=756,744 The DISTANCE action with label d_87_RA_H2-87_RA_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_87_RA_H2-87_RA_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_87_RA_H2-87_RA_H1'")'>signal_87_RA_H2-87_RA_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_87_RA_H2-87_RA_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_87_RA_H2-70_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_87_RA_H2-70_RG_H1'")'>d_87_RA_H2-70_RG_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=756,197 The DISTANCE action with label d_87_RA_H2-70_RG_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_87_RA_H2-70_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_87_RA_H2-70_RG_H1'")'>signal_87_RA_H2-70_RG_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_87_RA_H2-70_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_87_RA_H2-88_RU_H5:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=756,782 The DISTANCE action with label d_87_RA_H2-88_RU_H5 calculates a scalar quantitysignal_87_RA_H2-88_RU_H5:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_87_RA_H2-88_RU_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_87_RA_H1'-88_RU_H5" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_87_RA_H1'-88_RU_H5")'>d_87_RA_H1'-88_RU_H5</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=744,782 The DISTANCE action with label d_87_RA_H1'-88_RU_H5 calculates a scalar quantity<b name="data/plumed.6.datsignal_87_RA_H1'-88_RU_H5" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_87_RA_H1'-88_RU_H5")'>signal_87_RA_H1'-88_RU_H5</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_87_RA_H1'-88_RU_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_88_RU_H6-87_RA_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_88_RU_H6-87_RA_H1'")'>d_88_RU_H6-87_RA_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=780,744 The DISTANCE action with label d_88_RU_H6-87_RA_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_88_RU_H6-87_RA_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_88_RU_H6-87_RA_H1'")'>signal_88_RU_H6-87_RA_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_88_RU_H6-87_RA_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_89_RG_H8-88_RU_H6:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=810,780 The DISTANCE action with label d_89_RG_H8-88_RU_H6 calculates a scalar quantitysignal_89_RG_H8-88_RU_H6:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_89_RG_H8-88_RU_H6the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_89_RG_H8-88_RU_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_89_RG_H8-88_RU_H1'")'>d_89_RG_H8-88_RU_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=810,777 The DISTANCE action with label d_89_RG_H8-88_RU_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_89_RG_H8-88_RU_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_89_RG_H8-88_RU_H1'")'>signal_89_RG_H8-88_RU_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_89_RG_H8-88_RU_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_89_RG_H8-89_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_89_RG_H8-89_RG_H1'")'>d_89_RG_H8-89_RG_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=810,807 The DISTANCE action with label d_89_RG_H8-89_RG_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_89_RG_H8-89_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_89_RG_H8-89_RG_H1'")'>signal_89_RG_H8-89_RG_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_89_RG_H8-89_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_90_RU_H6-89_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_90_RU_H6-89_RG_H1'")'>d_90_RU_H6-89_RG_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=844,807 The DISTANCE action with label d_90_RU_H6-89_RG_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_90_RU_H6-89_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_90_RU_H6-89_RG_H1'")'>signal_90_RU_H6-89_RG_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_90_RU_H6-89_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_90_RU_H6-89_RG_H8:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=844,810 The DISTANCE action with label d_90_RU_H6-89_RG_H8 calculates a scalar quantitysignal_90_RU_H6-89_RG_H8:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_90_RU_H6-89_RG_H8the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_90_RU_H6-91_RG_H8:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=844,874 The DISTANCE action with label d_90_RU_H6-91_RG_H8 calculates a scalar quantitysignal_90_RU_H6-91_RG_H8:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_90_RU_H6-91_RG_H8the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_91_RG_H8-91_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_91_RG_H8-91_RG_H1'")'>d_91_RG_H8-91_RG_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=874,871 The DISTANCE action with label d_91_RG_H8-91_RG_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_91_RG_H8-91_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_91_RG_H8-91_RG_H1'")'>signal_91_RG_H8-91_RG_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_91_RG_H8-91_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO d_92_RG3_H8-91_RG_H8:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=908,874 The DISTANCE action with label d_92_RG3_H8-91_RG_H8 calculates a scalar quantitysignal_92_RG3_H8-91_RG_H8:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_92_RG3_H8-91_RG_H8the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_92_RG3_H8-91_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_92_RG3_H8-91_RG_H1'")'>d_92_RG3_H8-91_RG_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=908,871 The DISTANCE action with label d_92_RG3_H8-91_RG_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_92_RG3_H8-91_RG_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_92_RG3_H8-91_RG_H1'")'>signal_92_RG3_H8-91_RG_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_92_RG3_H8-91_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO <b name="data/plumed.6.datd_92_RG3_H8-92_RG3_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datd_92_RG3_H8-92_RG3_H1'")'>d_92_RG3_H8-92_RG3_H1'</b>:if the output of your function is periodic then you should specify the periodicity of the functionDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=908,905 The DISTANCE action with label d_92_RG3_H8-92_RG3_H1' calculates a scalar quantity<b name="data/plumed.6.datsignal_92_RG3_H8-92_RG3_H1'" onclick='showPath("data/plumed.6.dat","data/plumed.6.datsignal_92_RG3_H8-92_RG3_H1'")'>signal_92_RG3_H8-92_RG3_H1'</b>:the pair of atom that we are calculating the distance betweenMATHEVALAn alias to the ef CUSTOM function. More detailsARG=d_92_RG3_H8-92_RG3_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NOif the output of your function is periodic then you should specify the periodicity of the functionMAXENT...Add a linear biasing potential on one or more variables that satisfies a maximum entropy principle. More detailsLABEL=resa label for the action so that its output can be referenced in the input to other actionsFILE=SB2_NPT_RECT.LAGMULTLagrangian multipliers output fileARG=signal_70_RG_H1-71_RG_H1,signal_71_RG_H1-72_RU_H3,signal_72_RU_H3-73_RG_H1,signal_73_RG_H1-74_RG_H1,signal_70_RG_H1-86_RC_H41,signal_70_RG_H1-86_RC_H42,signal_71_RG_H1-85_RC_H41,signal_71_RG_H1-85_RC_H42,signal_72_RU_H3-84_RA_H2,signal_73_RG_H1-83_RC_H41,signal_73_RG_H1-83_RC_H42,signal_74_RG_H1-82_RC_H41,signal_74_RG_H1-82_RC_H42,signal_64_RC5_H6-64_RC5_H1',signal_65_RC_H6-64_RC5_H1',signal_66_RU_H6-65_RC_H1',signal_66_RU_H6-65_RC_H6,signal_67_RC_H6-66_RU_H6,signal_67_RC_H6-68_RG_H8,signal_67_RC_H6-67_RC_H1',signal_67_RC_H6-66_RU_H1',signal_68_RG_H8-68_RG_H1',signal_68_RG_H8-67_RC_H1',signal_68_RG_H8-69_RU_H5,signal_68_RG_H1'-69_RU_H5,signal_69_RU_H6-69_RU_H1',signal_69_RU_H6-68_RG_H1',signal_69_RU_H1'-69_RU_H5,signal_70_RG_H8-71_RG_H8,signal_70_RG_H8-70_RG_H1',signal_70_RG_H8-69_RU_H1',signal_71_RG_H8-72_RU_H6,signal_71_RG_H8-70_RG_H1',signal_71_RG_H8-71_RG_H1',signal_71_RG_H8-72_RU_H5,signal_71_RG_H1'-72_RU_H5,signal_72_RU_H6-72_RU_H1',signal_72_RU_H1'-72_RU_H5,signal_73_RG_H8-72_RU_H1',signal_73_RG_H8-73_RG_H1',signal_73_RG_H8-72_RU_H5,signal_74_RG_H8-73_RG_H8,signal_74_RG_H8-75_RU_H6,signal_74_RG_H8-73_RG_H1',signal_74_RG_H8-74_RG_H1',signal_74_RG_H8-75_RU_H5,signal_74_RG_H1'-75_RU_H5,signal_75_RU_H6-74_RG_H1',signal_75_RU_H6-75_RU_H1',signal_75_RU_H6-76_RU_H6,signal_75_RU_H1'-75_RU_H5,signal_75_RU_H5-76_RU_H5,signal_76_RU_H6-76_RU_H1',signal_76_RU_H6-75_RU_H5,signal_77_RG_H8-76_RU_H6,signal_77_RG_H8-78_RU_H6,signal_77_RG_H8-77_RG_H1',signal_77_RG_H8-76_RU_H1',signal_77_RG_H8-76_RU_H5,signal_78_RU_H6-78_RU_H1',signal_78_RU_H6-79_RG_H8,signal_79_RG_H8-78_RU_H1',signal_79_RG_H8-79_RG_H1',signal_79_RG_H8-77_RG_H1',signal_80_RA_H8-79_RG_H1',signal_80_RA_H8-80_RA_H1',signal_80_RA_H8-79_RG_H8,signal_80_RA_H8-81_RA_H8,signal_80_RA_H2-77_RG_H1',signal_80_RA_H2-79_RG_H1',signal_80_RA_H2-81_RA_H1',signal_80_RA_H2-79_RG_H8,signal_80_RA_H2-81_RA_H8,signal_80_RA_H2-81_RA_H2,signal_81_RA_H8-82_RC_H6,signal_81_RA_H8-80_RA_H1',signal_81_RA_H8-81_RA_H1',signal_81_RA_H8-82_RC_H5,signal_81_RA_H2-81_RA_H1',signal_81_RA_H2-76_RU_H1',signal_81_RA_H2-82_RC_H1',signal_81_RA_H1'-80_RA_H1',signal_81_RA_H1'-82_RC_H5,signal_82_RC_H6-83_RC_H6,signal_82_RC_H6-81_RA_H1',signal_82_RC_H6-82_RC_H1',signal_82_RC_H1'-82_RC_H5,signal_82_RC_H5-83_RC_H5,signal_83_RC_H6-82_RC_H1',signal_83_RC_H6-83_RC_H1',signal_84_RA_H8-83_RC_H6,signal_84_RA_H8-85_RC_H6,signal_84_RA_H8-83_RC_H1',signal_84_RA_H8-84_RA_H1',signal_84_RA_H8-83_RC_H5,signal_84_RA_H8-85_RC_H5,signal_84_RA_H2-84_RA_H1',signal_84_RA_H2-73_RG_H1',signal_84_RA_H2-85_RC_H1',signal_84_RA_H1'-85_RC_H5,signal_85_RC_H6-84_RA_H1',signal_85_RC_H6-85_RC_H1',signal_85_RC_H1'-85_RC_H5,signal_85_RC_H5-86_RC_H5,signal_86_RC_H6-86_RC_H1',signal_87_RA_H8-86_RC_H6,signal_87_RA_H8-88_RU_H6,signal_87_RA_H8-86_RC_H1',signal_87_RA_H8-87_RA_H1',signal_87_RA_H8-88_RU_H5,signal_87_RA_H2-87_RA_H1',signal_87_RA_H2-70_RG_H1',signal_87_RA_H2-88_RU_H5,signal_87_RA_H1'-88_RU_H5,signal_88_RU_H6-87_RA_H1',signal_89_RG_H8-88_RU_H6,signal_89_RG_H8-88_RU_H1',signal_89_RG_H8-89_RG_H1',signal_90_RU_H6-89_RG_H1',signal_90_RU_H6-89_RG_H8,signal_90_RU_H6-91_RG_H8,signal_91_RG_H8-91_RG_H1',signal_92_RG3_H8-91_RG_H8,signal_92_RG3_H8-91_RG_H1',signal_92_RG3_H8-92_RG3_H1the input for this action is the scalar output from one or more other actionsKAPPA=1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9,1e-9specifies the initial value for the learning rateTAU=20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0Specify the dumping time for the learning rateERROR_TYPE=GAUSSIANspecify the prior on the error to useSIGMA=0.50The typical errors expected on observablePACE=10the frequency for Lagrangian multipliers updatePRINT_STRIDE=500stride of Lagrangian multipliers output fileAPPLY_WEIGHTS=1,0.719683,0.517947,0.372759,0.26827,0.19307,0.138949,0.1Vector of weights containing 1 in correspondence of each replica that will receive the Lagrangian multiplier from the current oneTYPE=INEQUALspecify the restraint typeAT=1.33e+01,1.33e+01,1.33e+01,6.40e+01,4.59e+02,6.40e+01,4.59e+02,6.40e+01,6.40e+01,6.40e+01,6.40e+01,6.40e+01,6.40e+01,6.40e+01,6.40e+01,6.40e+01,1.33e+01,1.33e+01,1.33e+01,6.40e+01,6.40e+01,6.40e+01,6.40e+01,6.40e+01,1.33e+01,6.40e+01,6.40e+01,1.33e+01,1.33e+01,6.40e+01,6.40e+01,6.40e+01,6.40e+01,6.40e+01,6.40e+01,1.33e+01,6.40e+01,1.33e+01,6.40e+01,6.40e+01,1.33e+01,1.33e+01,6.40e+01,6.40e+01,6.40e+01,6.40e+01,1.33e+01,6.40e+01,6.40e+01,1.33e+01,1.33e+01,6.40e+01,6.40e+01,1.33e+01,6.40e+01,1.33e+01,4.59e+02,6.40e+01,1.33e+01,4.59e+02,1.33e+01,1.33e+01,4.59e+02,1.33e+01,1.33e+01,6.40e+01,6.40e+01,6.40e+01,6.40e+01,6.40e+01,6.40e+01,1.33e+01,1.33e+01,6.40e+01,6.40e+01,4.59e+02,6.40e+01,6.40e+01,1.33e+01,6.40e+01,6.40e+01,1.33e+01,1.33e+01,1.33e+01,6.40e+01,6.40e+01,1.33e+01,6.40e+01,6.40e+01,6.40e+01,1.33e+01,1.33e+01,6.40e+01,6.40e+01,1.33e+01,6.40e+01,1.33e+01,6.40e+01,6.40e+01,1.33e+01,6.40e+01,6.40e+01,1.33e+01,1.33e+01,6.40e+01,1.33e+01,1.33e+01,6.40e+01,6.40e+01,6.40e+01,1.33e+01,6.40e+01,1.33e+01,1.33e+01,6.40e+01,6.40e+01,6.40e+01,6.40e+01,1.33e+01,1.33e+01,1.33e+01,6.40e+01,1.33e+01,6.40e+01,6.40e+01 ... MAXENTthe position of the restraint
The MAXENT action with label res calculates the following quantities:
Quantity Description res.bias the instantaneous value of the bias potential res.force2 the instantaneous value of the squared force due to this bias potential res.work the instantaneous value of the work done by the biasing force res._work the instantaneous value of the work done by the biasing force for each argument res._error Instantaneous values of the discrepancy between the observable and the restraint center res._coupling Instantaneous values of Lagrangian multipliers Print quantities to a file. More detailsARG=signal_70_RG_H1-71_RG_H1,signal_71_RG_H1-72_RU_H3,signal_72_RU_H3-73_RG_H1,signal_73_RG_H1-74_RG_H1,signal_70_RG_H1-86_RC_H41,signal_70_RG_H1-86_RC_H42,signal_71_RG_H1-85_RC_H41,signal_71_RG_H1-85_RC_H42,signal_72_RU_H3-84_RA_H2,signal_73_RG_H1-83_RC_H41,signal_73_RG_H1-83_RC_H42,signal_74_RG_H1-82_RC_H41,signal_74_RG_H1-82_RC_H42,signal_64_RC5_H6-64_RC5_H1',signal_65_RC_H6-64_RC5_H1',signal_66_RU_H6-65_RC_H1',signal_66_RU_H6-65_RC_H6,signal_67_RC_H6-66_RU_H6,signal_67_RC_H6-68_RG_H8,signal_67_RC_H6-67_RC_H1',signal_67_RC_H6-66_RU_H1',signal_68_RG_H8-68_RG_H1',signal_68_RG_H8-67_RC_H1',signal_68_RG_H8-69_RU_H5,signal_68_RG_H1'-69_RU_H5,signal_69_RU_H6-69_RU_H1',signal_69_RU_H6-68_RG_H1',signal_69_RU_H1'-69_RU_H5,signal_70_RG_H8-71_RG_H8,signal_70_RG_H8-70_RG_H1',signal_70_RG_H8-69_RU_H1',signal_71_RG_H8-72_RU_H6,signal_71_RG_H8-70_RG_H1',signal_71_RG_H8-71_RG_H1',signal_71_RG_H8-72_RU_H5,signal_71_RG_H1'-72_RU_H5,signal_72_RU_H6-72_RU_H1',signal_72_RU_H1'-72_RU_H5,signal_73_RG_H8-72_RU_H1',signal_73_RG_H8-73_RG_H1',signal_73_RG_H8-72_RU_H5,signal_74_RG_H8-73_RG_H8,signal_74_RG_H8-75_RU_H6,signal_74_RG_H8-73_RG_H1',signal_74_RG_H8-74_RG_H1',signal_74_RG_H8-75_RU_H5,signal_74_RG_H1'-75_RU_H5,signal_75_RU_H6-74_RG_H1',signal_75_RU_H6-75_RU_H1',signal_75_RU_H6-76_RU_H6,signal_75_RU_H1'-75_RU_H5,signal_75_RU_H5-76_RU_H5,signal_76_RU_H6-76_RU_H1',signal_76_RU_H6-75_RU_H5,signal_77_RG_H8-76_RU_H6,signal_77_RG_H8-78_RU_H6,signal_77_RG_H8-77_RG_H1',signal_77_RG_H8-76_RU_H1',signal_77_RG_H8-76_RU_H5,signal_78_RU_H6-78_RU_H1',signal_78_RU_H6-79_RG_H8,signal_79_RG_H8-78_RU_H1',signal_79_RG_H8-79_RG_H1',signal_79_RG_H8-77_RG_H1',signal_80_RA_H8-79_RG_H1',signal_80_RA_H8-80_RA_H1',signal_80_RA_H8-79_RG_H8,signal_80_RA_H8-81_RA_H8,signal_80_RA_H2-77_RG_H1',signal_80_RA_H2-79_RG_H1',signal_80_RA_H2-81_RA_H1',signal_80_RA_H2-79_RG_H8,signal_80_RA_H2-81_RA_H8,signal_80_RA_H2-81_RA_H2,signal_81_RA_H8-82_RC_H6,signal_81_RA_H8-80_RA_H1',signal_81_RA_H8-81_RA_H1',signal_81_RA_H8-82_RC_H5,signal_81_RA_H2-81_RA_H1',signal_81_RA_H2-76_RU_H1',signal_81_RA_H2-82_RC_H1',signal_81_RA_H1'-80_RA_H1',signal_81_RA_H1'-82_RC_H5,signal_82_RC_H6-83_RC_H6,signal_82_RC_H6-81_RA_H1',signal_82_RC_H6-82_RC_H1',signal_82_RC_H1'-82_RC_H5,signal_82_RC_H5-83_RC_H5,signal_83_RC_H6-82_RC_H1',signal_83_RC_H6-83_RC_H1',signal_84_RA_H8-83_RC_H6,signal_84_RA_H8-85_RC_H6,signal_84_RA_H8-83_RC_H1',signal_84_RA_H8-84_RA_H1',signal_84_RA_H8-83_RC_H5,signal_84_RA_H8-85_RC_H5,signal_84_RA_H2-84_RA_H1',signal_84_RA_H2-73_RG_H1',signal_84_RA_H2-85_RC_H1',signal_84_RA_H1'-85_RC_H5,signal_85_RC_H6-84_RA_H1',signal_85_RC_H6-85_RC_H1',signal_85_RC_H1'-85_RC_H5,signal_85_RC_H5-86_RC_H5,signal_86_RC_H6-86_RC_H1',signal_87_RA_H8-86_RC_H6,signal_87_RA_H8-88_RU_H6,signal_87_RA_H8-86_RC_H1',signal_87_RA_H8-87_RA_H1',signal_87_RA_H8-88_RU_H5,signal_87_RA_H2-87_RA_H1',signal_87_RA_H2-70_RG_H1',signal_87_RA_H2-88_RU_H5,signal_87_RA_H1'-88_RU_H5,signal_88_RU_H6-87_RA_H1',signal_89_RG_H8-88_RU_H6,signal_89_RG_H8-88_RU_H1',signal_89_RG_H8-89_RG_H1',signal_90_RU_H6-89_RG_H1',signal_90_RU_H6-89_RG_H8,signal_90_RU_H6-91_RG_H8,signal_91_RG_H8-91_RG_H1',signal_92_RG3_H8-91_RG_H8,signal_92_RG3_H8-91_RG_H1',signal_92_RG3_H8-92_RG3_H1',res.signal_70_RG_H1-71_RG_H1_error,res.signal_71_RG_H1-72_RU_H3_error,res.signal_72_RU_H3-73_RG_H1_error,res.signal_73_RG_H1-74_RG_H1_error,res.signal_70_RG_H1-86_RC_H41_error,res.signal_70_RG_H1-86_RC_H42_error,res.signal_71_RG_H1-85_RC_H41_error,res.signal_71_RG_H1-85_RC_H42_error,res.signal_72_RU_H3-84_RA_H2_error,res.signal_73_RG_H1-83_RC_H41_error,res.signal_73_RG_H1-83_RC_H42_error,res.signal_74_RG_H1-82_RC_H41_error,res.signal_74_RG_H1-82_RC_H42_error,res.signal_64_RC5_H6-64_RC5_H1'_error,res.signal_65_RC_H6-64_RC5_H1'_error,res.signal_66_RU_H6-65_RC_H1'_error,res.signal_66_RU_H6-65_RC_H6_error,res.signal_67_RC_H6-66_RU_H6_error,res.signal_67_RC_H6-68_RG_H8_error,res.signal_67_RC_H6-67_RC_H1'_error,res.signal_67_RC_H6-66_RU_H1'_error,res.signal_68_RG_H8-68_RG_H1'_error,res.signal_68_RG_H8-67_RC_H1'_error,res.signal_68_RG_H8-69_RU_H5_error,res.signal_68_RG_H1'-69_RU_H5_error,res.signal_69_RU_H6-69_RU_H1'_error,res.signal_69_RU_H6-68_RG_H1'_error,res.signal_69_RU_H1'-69_RU_H5_error,res.signal_70_RG_H8-71_RG_H8_error,res.signal_70_RG_H8-70_RG_H1'_error,res.signal_70_RG_H8-69_RU_H1'_error,res.signal_71_RG_H8-72_RU_H6_error,res.signal_71_RG_H8-70_RG_H1'_error,res.signal_71_RG_H8-71_RG_H1'_error,res.signal_71_RG_H8-72_RU_H5_error,res.signal_71_RG_H1'-72_RU_H5_error,res.signal_72_RU_H6-72_RU_H1'_error,res.signal_72_RU_H1'-72_RU_H5_error,res.signal_73_RG_H8-72_RU_H1'_error,res.signal_73_RG_H8-73_RG_H1'_error,res.signal_73_RG_H8-72_RU_H5_error,res.signal_74_RG_H8-73_RG_H8_error,res.signal_74_RG_H8-75_RU_H6_error,res.signal_74_RG_H8-73_RG_H1'_error,res.signal_74_RG_H8-74_RG_H1'_error,res.signal_74_RG_H8-75_RU_H5_error,res.signal_74_RG_H1'-75_RU_H5_error,res.signal_75_RU_H6-74_RG_H1'_error,res.signal_75_RU_H6-75_RU_H1'_error,res.signal_75_RU_H6-76_RU_H6_error,res.signal_75_RU_H1'-75_RU_H5_error,res.signal_75_RU_H5-76_RU_H5_error,res.signal_76_RU_H6-76_RU_H1'_error,res.signal_76_RU_H6-75_RU_H5_error,res.signal_77_RG_H8-76_RU_H6_error,res.signal_77_RG_H8-78_RU_H6_error,res.signal_77_RG_H8-77_RG_H1'_error,res.signal_77_RG_H8-76_RU_H1'_error,res.signal_77_RG_H8-76_RU_H5_error,res.signal_78_RU_H6-78_RU_H1'_error,res.signal_78_RU_H6-79_RG_H8_error,res.signal_79_RG_H8-78_RU_H1'_error,res.signal_79_RG_H8-79_RG_H1'_error,res.signal_79_RG_H8-77_RG_H1'_error,res.signal_80_RA_H8-79_RG_H1'_error,res.signal_80_RA_H8-80_RA_H1'_error,res.signal_80_RA_H8-79_RG_H8_error,res.signal_80_RA_H8-81_RA_H8_error,res.signal_80_RA_H2-77_RG_H1'_error,res.signal_80_RA_H2-79_RG_H1'_error,res.signal_80_RA_H2-81_RA_H1'_error,res.signal_80_RA_H2-79_RG_H8_error,res.signal_80_RA_H2-81_RA_H8_error,res.signal_80_RA_H2-81_RA_H2_error,res.signal_81_RA_H8-82_RC_H6_error,res.signal_81_RA_H8-80_RA_H1'_error,res.signal_81_RA_H8-81_RA_H1'_error,res.signal_81_RA_H8-82_RC_H5_error,res.signal_81_RA_H2-81_RA_H1'_error,res.signal_81_RA_H2-76_RU_H1'_error,res.signal_81_RA_H2-82_RC_H1'_error,res.signal_81_RA_H1'-80_RA_H1'_error,res.signal_81_RA_H1'-82_RC_H5_error,res.signal_82_RC_H6-83_RC_H6_error,res.signal_82_RC_H6-81_RA_H1'_error,res.signal_82_RC_H6-82_RC_H1'_error,res.signal_82_RC_H1'-82_RC_H5_error,res.signal_82_RC_H5-83_RC_H5_error,res.signal_83_RC_H6-82_RC_H1'_error,res.signal_83_RC_H6-83_RC_H1'_error,res.signal_84_RA_H8-83_RC_H6_error,res.signal_84_RA_H8-85_RC_H6_error,res.signal_84_RA_H8-83_RC_H1'_error,res.signal_84_RA_H8-84_RA_H1'_error,res.signal_84_RA_H8-83_RC_H5_error,res.signal_84_RA_H8-85_RC_H5_error,res.signal_84_RA_H2-84_RA_H1'_error,res.signal_84_RA_H2-73_RG_H1'_error,res.signal_84_RA_H2-85_RC_H1'_error,res.signal_84_RA_H1'-85_RC_H5_error,res.signal_85_RC_H6-84_RA_H1'_error,res.signal_85_RC_H6-85_RC_H1'_error,res.signal_85_RC_H1'-85_RC_H5_error,res.signal_85_RC_H5-86_RC_H5_error,res.signal_86_RC_H6-86_RC_H1'_error,res.signal_87_RA_H8-86_RC_H6_error,res.signal_87_RA_H8-88_RU_H6_error,res.signal_87_RA_H8-86_RC_H1'_error,res.signal_87_RA_H8-87_RA_H1'_error,res.signal_87_RA_H8-88_RU_H5_error,res.signal_87_RA_H2-87_RA_H1'_error,res.signal_87_RA_H2-70_RG_H1'_error,res.signal_87_RA_H2-88_RU_H5_error,res.signal_87_RA_H1'-88_RU_H5_error,res.signal_88_RU_H6-87_RA_H1'_error,res.signal_89_RG_H8-88_RU_H6_error,res.signal_89_RG_H8-88_RU_H1'_error,res.signal_89_RG_H8-89_RG_H1'_error,res.signal_90_RU_H6-89_RG_H1'_error,res.signal_90_RU_H6-89_RG_H8_error,res.signal_90_RU_H6-91_RG_H8_error,res.signal_91_RG_H8-91_RG_H1'_error,res.signal_92_RG3_H8-91_RG_H8_error,res.signal_92_RG3_H8-91_RG_H1'_error,res.signal_92_RG3_H8-92_RG3_H1'_error,res.biasthe input for this action is the scalar output from one or more other actionsSTRIDE=500the frequency with which the quantities of interest should be outputFILE=SB2_RECT ... PRINT # --- End of included input --- ########################### #### Metadynamics ###########################the name of the file on which to output these quantitiesMETADUsed to performed metadynamics on one or more collective variables. More detailsARG=c77the input for this action is the scalar output from one or more other actionsSIGMA=0.25the widths of the Gaussian hillsHEIGHT=1.03the heights of the Gaussian hillsPACE=500the frequency for hill additionBIASFACTOR=5.94398use well tempered metadynamics and use this bias factorTEMP=300the system temperature - this is only needed if you are doing well-tempered metadynamicsGRID_MIN=-pithe lower bounds for the gridGRID_MAX=pithe upper bounds for the gridFILE=HILLSc77 The METAD action with label calculates the following quantities:a file in which the list of added hills is stored
Quantity Description .bias the instantaneous value of the bias potential METADUsed to performed metadynamics on one or more collective variables. More detailsARG=c78the input for this action is the scalar output from one or more other actionsSIGMA=0.25the widths of the Gaussian hillsHEIGHT=1.03the heights of the Gaussian hillsPACE=500the frequency for hill additionBIASFACTOR=5.94398use well tempered metadynamics and use this bias factorTEMP=300the system temperature - this is only needed if you are doing well-tempered metadynamicsGRID_MIN=-pithe lower bounds for the gridGRID_MAX=pithe upper bounds for the gridFILE=HILLSc78 The METAD action with label calculates the following quantities:a file in which the list of added hills is stored
Quantity Description .bias the instantaneous value of the bias potential METADUsed to performed metadynamics on one or more collective variables. More detailsARG=c79the input for this action is the scalar output from one or more other actionsSIGMA=0.25the widths of the Gaussian hillsHEIGHT=1.03the heights of the Gaussian hillsPACE=500the frequency for hill additionBIASFACTOR=5.94398use well tempered metadynamics and use this bias factorTEMP=300the system temperature - this is only needed if you are doing well-tempered metadynamicsGRID_MIN=-pithe lower bounds for the gridGRID_MAX=pithe upper bounds for the gridFILE=HILLSc79 The METAD action with label calculates the following quantities:a file in which the list of added hills is stored
Quantity Description .bias the instantaneous value of the bias potential METADUsed to performed metadynamics on one or more collective variables. More detailsARG=co77the input for this action is the scalar output from one or more other actionsSIGMA=0.05the widths of the Gaussian hillsHEIGHT=1.03the heights of the Gaussian hillsPACE=500the frequency for hill additionBIASFACTOR=5.94398use well tempered metadynamics and use this bias factorTEMP=300the system temperature - this is only needed if you are doing well-tempered metadynamicsGRID_MIN=0the lower bounds for the gridGRID_MAX=30the upper bounds for the gridFILE=HILLSco77 The METAD action with label calculates the following quantities:a file in which the list of added hills is stored
Quantity Description .bias the instantaneous value of the bias potential METADUsed to performed metadynamics on one or more collective variables. More detailsARG=co78the input for this action is the scalar output from one or more other actionsSIGMA=0.05the widths of the Gaussian hillsHEIGHT=1.03the heights of the Gaussian hillsPACE=500the frequency for hill additionBIASFACTOR=5.94398use well tempered metadynamics and use this bias factorTEMP=300the system temperature - this is only needed if you are doing well-tempered metadynamicsGRID_MIN=0the lower bounds for the gridGRID_MAX=30the upper bounds for the gridFILE=HILLSco78 The METAD action with label calculates the following quantities:a file in which the list of added hills is stored
Quantity Description .bias the instantaneous value of the bias potential METADUsed to performed metadynamics on one or more collective variables. More detailsARG=co79the input for this action is the scalar output from one or more other actionsSIGMA=0.05the widths of the Gaussian hillsHEIGHT=1.03the heights of the Gaussian hillsPACE=500the frequency for hill additionBIASFACTOR=5.94398use well tempered metadynamics and use this bias factorTEMP=300the system temperature - this is only needed if you are doing well-tempered metadynamicsGRID_MIN=0the lower bounds for the gridGRID_MAX=30the upper bounds for the gridFILE=HILLSco79 The METAD action with label calculates the following quantities:a file in which the list of added hills is stored
Quantity Description .bias the instantaneous value of the bias potential FLUSHThis command instructs plumed to flush all the open files with a user specified frequency. More detailsSTRIDE=50000the frequency with which all the open files should be flushed