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). The INCLUDE action with label cv.dat calculates somethingfile 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 The MOLINFO action with label calculates somethingc77: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 the following quantities:the four atoms that are required to alcullate the chi dihedral for residue 77. Click here for more information.c78:
Quantity Description c77.value the TORSION involving these atoms TORSIONCalculate a torsional angle. More detailsATOMS=the four atoms involved in the torsional angle@chi-78#biased The TORSION action with label c78 calculates the following quantities:the four atoms that are required to alcullate the chi dihedral for residue 78. Click here for more information.c79:
Quantity Description c78.value the TORSION involving these atoms 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 the following quantities:the four atoms that are required to alcullate the chi dihedral for residue 79. Click here for more information.
Quantity Description c79.value the TORSION involving these atoms 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 COM action with label com64 calculates somethingthe 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 COM action with label com65 calculates somethingthe 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 COM action with label com66 calculates somethingthe 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 COM action with label com67 calculates somethingthe 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 COM action with label com68 calculates somethingthe 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 COM action with label com69 calculates somethingthe 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 COM action with label com70 calculates somethingthe 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 COM action with label com71 calculates somethingthe 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 COM action with label com72 calculates somethingthe 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 COM action with label com73 calculates somethingthe 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 COM action with label com74 calculates somethingthe 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 COM action with label com75 calculates somethingthe 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 COM action with label com76 calculates somethingthe 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 COM action with label com77 calculates somethingthe 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 COM action with label com78 calculates somethingthe 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 COM action with label com79 calculates somethingthe 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 COM action with label com80 calculates somethingthe 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 COM action with label com81 calculates somethingthe 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 COM action with label com82 calculates somethingthe 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 COM action with label com83 calculates somethingthe 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 COM action with label com84 calculates somethingthe 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 COM action with label com85 calculates somethingthe 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 COM action with label com86 calculates somethingthe 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 COM action with label com87 calculates somethingthe 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 COM action with label com88 calculates somethingthe 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 COM action with label com89 calculates somethingthe 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 COM action with label com90 calculates somethingthe 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 COM action with label com91 calculates somethingthe 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 The COM action with label com92 calculates somethingd77_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 the following quantities:the pair of atom that we are calculating the distance betweend77_65:
Quantity Description d77_64.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com65 The DISTANCE action with label d77_65 calculates the following quantities:the pair of atom that we are calculating the distance betweend77_66:
Quantity Description d77_65.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com66 The DISTANCE action with label d77_66 calculates the following quantities:the pair of atom that we are calculating the distance betweend77_67:
Quantity Description d77_66.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com67 The DISTANCE action with label d77_67 calculates the following quantities:the pair of atom that we are calculating the distance betweend77_68:
Quantity Description d77_67.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com68 The DISTANCE action with label d77_68 calculates the following quantities:the pair of atom that we are calculating the distance betweend77_69:
Quantity Description d77_68.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com69 The DISTANCE action with label d77_69 calculates the following quantities:the pair of atom that we are calculating the distance betweend77_70:
Quantity Description d77_69.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com70 The DISTANCE action with label d77_70 calculates the following quantities:the pair of atom that we are calculating the distance betweend77_71:
Quantity Description d77_70.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com71 The DISTANCE action with label d77_71 calculates the following quantities:the pair of atom that we are calculating the distance betweend77_72:
Quantity Description d77_71.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com72 The DISTANCE action with label d77_72 calculates the following quantities:the pair of atom that we are calculating the distance betweend77_73:
Quantity Description d77_72.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com73 The DISTANCE action with label d77_73 calculates the following quantities:the pair of atom that we are calculating the distance betweend77_74:
Quantity Description d77_73.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com74 The DISTANCE action with label d77_74 calculates the following quantities:the pair of atom that we are calculating the distance betweend77_75:
Quantity Description d77_74.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com75 The DISTANCE action with label d77_75 calculates the following quantities:the pair of atom that we are calculating the distance betweend77_76:
Quantity Description d77_75.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com76 The DISTANCE action with label d77_76 calculates the following quantities:the pair of atom that we are calculating the distance betweend77_78:
Quantity Description d77_76.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com78 The DISTANCE action with label d77_78 calculates the following quantities:the pair of atom that we are calculating the distance betweend77_79:
Quantity Description d77_78.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com79 The DISTANCE action with label d77_79 calculates the following quantities:the pair of atom that we are calculating the distance betweend77_80:
Quantity Description d77_79.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com80 The DISTANCE action with label d77_80 calculates the following quantities:the pair of atom that we are calculating the distance betweend77_81:
Quantity Description d77_80.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com81 The DISTANCE action with label d77_81 calculates the following quantities:the pair of atom that we are calculating the distance betweend77_82:
Quantity Description d77_81.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com82 The DISTANCE action with label d77_82 calculates the following quantities:the pair of atom that we are calculating the distance betweend77_83:
Quantity Description d77_82.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com83 The DISTANCE action with label d77_83 calculates the following quantities:the pair of atom that we are calculating the distance betweend77_84:
Quantity Description d77_83.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com84 The DISTANCE action with label d77_84 calculates the following quantities:the pair of atom that we are calculating the distance betweend77_85:
Quantity Description d77_84.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com85 The DISTANCE action with label d77_85 calculates the following quantities:the pair of atom that we are calculating the distance betweend77_86:
Quantity Description d77_85.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com86 The DISTANCE action with label d77_86 calculates the following quantities:the pair of atom that we are calculating the distance betweend77_87:
Quantity Description d77_86.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com87 The DISTANCE action with label d77_87 calculates the following quantities:the pair of atom that we are calculating the distance betweend77_88:
Quantity Description d77_87.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com88 The DISTANCE action with label d77_88 calculates the following quantities:the pair of atom that we are calculating the distance betweend77_89:
Quantity Description d77_88.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com89 The DISTANCE action with label d77_89 calculates the following quantities:the pair of atom that we are calculating the distance betweend77_90:
Quantity Description d77_89.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com90 The DISTANCE action with label d77_90 calculates the following quantities:the pair of atom that we are calculating the distance betweend77_91:
Quantity Description d77_90.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com91 The DISTANCE action with label d77_91 calculates the following quantities:the pair of atom that we are calculating the distance betweend77_92:
Quantity Description d77_91.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com77,com92 ## Sorting values of distances The DISTANCE action with label d77_92 calculates the following quantities:the pair of atom that we are calculating the distance betweensort77:
Quantity Description d77_92.value the DISTANCE between this pair of atoms SORTThis 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 The SORT action with label sort77 calculates the following quantities:the input to this functionco77:
Quantity Description sort77.value sorted COORDINATIONCalculate 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 the following quantities:Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)d78_64:
Quantity Description co77.value the value of the coordination DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com64 The DISTANCE action with label d78_64 calculates the following quantities:the pair of atom that we are calculating the distance betweend78_65:
Quantity Description d78_64.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com65 The DISTANCE action with label d78_65 calculates the following quantities:the pair of atom that we are calculating the distance betweend78_66:
Quantity Description d78_65.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com66 The DISTANCE action with label d78_66 calculates the following quantities:the pair of atom that we are calculating the distance betweend78_67:
Quantity Description d78_66.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com67 The DISTANCE action with label d78_67 calculates the following quantities:the pair of atom that we are calculating the distance betweend78_68:
Quantity Description d78_67.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com68 The DISTANCE action with label d78_68 calculates the following quantities:the pair of atom that we are calculating the distance betweend78_69:
Quantity Description d78_68.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com69 The DISTANCE action with label d78_69 calculates the following quantities:the pair of atom that we are calculating the distance betweend78_70:
Quantity Description d78_69.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com70 The DISTANCE action with label d78_70 calculates the following quantities:the pair of atom that we are calculating the distance betweend78_71:
Quantity Description d78_70.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com71 The DISTANCE action with label d78_71 calculates the following quantities:the pair of atom that we are calculating the distance betweend78_72:
Quantity Description d78_71.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com72 The DISTANCE action with label d78_72 calculates the following quantities:the pair of atom that we are calculating the distance betweend78_73:
Quantity Description d78_72.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com73 The DISTANCE action with label d78_73 calculates the following quantities:the pair of atom that we are calculating the distance betweend78_74:
Quantity Description d78_73.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com74 The DISTANCE action with label d78_74 calculates the following quantities:the pair of atom that we are calculating the distance betweend78_75:
Quantity Description d78_74.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com75 The DISTANCE action with label d78_75 calculates the following quantities:the pair of atom that we are calculating the distance betweend78_76:
Quantity Description d78_75.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com76 The DISTANCE action with label d78_76 calculates the following quantities:the pair of atom that we are calculating the distance betweend78_77:
Quantity Description d78_76.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com77 The DISTANCE action with label d78_77 calculates the following quantities:the pair of atom that we are calculating the distance betweend78_79:
Quantity Description d78_77.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com79 The DISTANCE action with label d78_79 calculates the following quantities:the pair of atom that we are calculating the distance betweend78_80:
Quantity Description d78_79.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com80 The DISTANCE action with label d78_80 calculates the following quantities:the pair of atom that we are calculating the distance betweend78_81:
Quantity Description d78_80.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com81 The DISTANCE action with label d78_81 calculates the following quantities:the pair of atom that we are calculating the distance betweend78_82:
Quantity Description d78_81.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com82 The DISTANCE action with label d78_82 calculates the following quantities:the pair of atom that we are calculating the distance betweend78_83:
Quantity Description d78_82.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com83 The DISTANCE action with label d78_83 calculates the following quantities:the pair of atom that we are calculating the distance betweend78_84:
Quantity Description d78_83.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com84 The DISTANCE action with label d78_84 calculates the following quantities:the pair of atom that we are calculating the distance betweend78_85:
Quantity Description d78_84.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com85 The DISTANCE action with label d78_85 calculates the following quantities:the pair of atom that we are calculating the distance betweend78_86:
Quantity Description d78_85.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com86 The DISTANCE action with label d78_86 calculates the following quantities:the pair of atom that we are calculating the distance betweend78_87:
Quantity Description d78_86.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com87 The DISTANCE action with label d78_87 calculates the following quantities:the pair of atom that we are calculating the distance betweend78_88:
Quantity Description d78_87.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com88 The DISTANCE action with label d78_88 calculates the following quantities:the pair of atom that we are calculating the distance betweend78_89:
Quantity Description d78_88.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com89 The DISTANCE action with label d78_89 calculates the following quantities:the pair of atom that we are calculating the distance betweend78_90:
Quantity Description d78_89.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com90 The DISTANCE action with label d78_90 calculates the following quantities:the pair of atom that we are calculating the distance betweend78_91:
Quantity Description d78_90.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com91 The DISTANCE action with label d78_91 calculates the following quantities:the pair of atom that we are calculating the distance betweend78_92:
Quantity Description d78_91.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com78,com92 ## Sorting values of distances The DISTANCE action with label d78_92 calculates the following quantities:the pair of atom that we are calculating the distance betweensort78:
Quantity Description d78_92.value the DISTANCE between this pair of atoms SORTThis 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 The SORT action with label sort78 calculates the following quantities:the input to this functionco78:
Quantity Description sort78.value sorted COORDINATIONCalculate 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 the following quantities:Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)d79_64:
Quantity Description co78.value the value of the coordination DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com64 The DISTANCE action with label d79_64 calculates the following quantities:the pair of atom that we are calculating the distance betweend79_65:
Quantity Description d79_64.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com65 The DISTANCE action with label d79_65 calculates the following quantities:the pair of atom that we are calculating the distance betweend79_66:
Quantity Description d79_65.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com66 The DISTANCE action with label d79_66 calculates the following quantities:the pair of atom that we are calculating the distance betweend79_67:
Quantity Description d79_66.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com67 The DISTANCE action with label d79_67 calculates the following quantities:the pair of atom that we are calculating the distance betweend79_68:
Quantity Description d79_67.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com68 The DISTANCE action with label d79_68 calculates the following quantities:the pair of atom that we are calculating the distance betweend79_69:
Quantity Description d79_68.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com69 The DISTANCE action with label d79_69 calculates the following quantities:the pair of atom that we are calculating the distance betweend79_70:
Quantity Description d79_69.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com70 The DISTANCE action with label d79_70 calculates the following quantities:the pair of atom that we are calculating the distance betweend79_71:
Quantity Description d79_70.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com71 The DISTANCE action with label d79_71 calculates the following quantities:the pair of atom that we are calculating the distance betweend79_72:
Quantity Description d79_71.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com72 The DISTANCE action with label d79_72 calculates the following quantities:the pair of atom that we are calculating the distance betweend79_73:
Quantity Description d79_72.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com73 The DISTANCE action with label d79_73 calculates the following quantities:the pair of atom that we are calculating the distance betweend79_74:
Quantity Description d79_73.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com74 The DISTANCE action with label d79_74 calculates the following quantities:the pair of atom that we are calculating the distance betweend79_75:
Quantity Description d79_74.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com75 The DISTANCE action with label d79_75 calculates the following quantities:the pair of atom that we are calculating the distance betweend79_76:
Quantity Description d79_75.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com76 The DISTANCE action with label d79_76 calculates the following quantities:the pair of atom that we are calculating the distance betweend79_77:
Quantity Description d79_76.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com77 The DISTANCE action with label d79_77 calculates the following quantities:the pair of atom that we are calculating the distance betweend79_78:
Quantity Description d79_77.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com78 The DISTANCE action with label d79_78 calculates the following quantities:the pair of atom that we are calculating the distance betweend79_80:
Quantity Description d79_78.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com80 The DISTANCE action with label d79_80 calculates the following quantities:the pair of atom that we are calculating the distance betweend79_81:
Quantity Description d79_80.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com81 The DISTANCE action with label d79_81 calculates the following quantities:the pair of atom that we are calculating the distance betweend79_82:
Quantity Description d79_81.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com82 The DISTANCE action with label d79_82 calculates the following quantities:the pair of atom that we are calculating the distance betweend79_83:
Quantity Description d79_82.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com83 The DISTANCE action with label d79_83 calculates the following quantities:the pair of atom that we are calculating the distance betweend79_84:
Quantity Description d79_83.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com84 The DISTANCE action with label d79_84 calculates the following quantities:the pair of atom that we are calculating the distance betweend79_85:
Quantity Description d79_84.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com85 The DISTANCE action with label d79_85 calculates the following quantities:the pair of atom that we are calculating the distance betweend79_86:
Quantity Description d79_85.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com86 The DISTANCE action with label d79_86 calculates the following quantities:the pair of atom that we are calculating the distance betweend79_87:
Quantity Description d79_86.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com87 The DISTANCE action with label d79_87 calculates the following quantities:the pair of atom that we are calculating the distance betweend79_88:
Quantity Description d79_87.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com88 The DISTANCE action with label d79_88 calculates the following quantities:the pair of atom that we are calculating the distance betweend79_89:
Quantity Description d79_88.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com89 The DISTANCE action with label d79_89 calculates the following quantities:the pair of atom that we are calculating the distance betweend79_90:
Quantity Description d79_89.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com90 The DISTANCE action with label d79_90 calculates the following quantities:the pair of atom that we are calculating the distance betweend79_91:
Quantity Description d79_90.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com91 The DISTANCE action with label d79_91 calculates the following quantities:the pair of atom that we are calculating the distance betweend79_92:
Quantity Description d79_91.value the DISTANCE between this pair of atoms DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=com79,com92 ## Sorting values of distances The DISTANCE action with label d79_92 calculates the following quantities:the pair of atom that we are calculating the distance betweensort79:
Quantity Description d79_92.value the DISTANCE between this pair of atoms SORTThis 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 The SORT action with label sort79 calculates the following quantities:the input to this functionco79:
Quantity Description sort79.value sorted COORDINATIONCalculate 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 the following quantities:Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)
Quantity Description co79.value the value of the coordination 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 The INCLUDE action with label plu_maxent_NOE_RECT.dat calculates somethingd_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 the following quantities:the pair of atom that we are calculating the distance betweensignal_70_RG_H1-71_RG_H1:
Quantity Description d_70_RG_H1-71_RG_H1.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_70_RG_H1-71_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_70_RG_H1-71_RG_H1 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_71_RG_H1-72_RU_H3:
Quantity Description signal_70_RG_H1-71_RG_H1.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=240,274 The DISTANCE action with label d_71_RG_H1-72_RU_H3 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_71_RG_H1-72_RU_H3:
Quantity Description d_71_RG_H1-72_RU_H3.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_71_RG_H1-72_RU_H3the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_71_RG_H1-72_RU_H3 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_72_RU_H3-73_RG_H1:
Quantity Description signal_71_RG_H1-72_RU_H3.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=274,304 The DISTANCE action with label d_72_RU_H3-73_RG_H1 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_72_RU_H3-73_RG_H1:
Quantity Description d_72_RU_H3-73_RG_H1.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_72_RU_H3-73_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_72_RU_H3-73_RG_H1 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_73_RG_H1-74_RG_H1:
Quantity Description signal_72_RU_H3-73_RG_H1.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=304,338 The DISTANCE action with label d_73_RG_H1-74_RG_H1 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_73_RG_H1-74_RG_H1:
Quantity Description d_73_RG_H1-74_RG_H1.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_73_RG_H1-74_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_73_RG_H1-74_RG_H1 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_70_RG_H1-86_RC_H41:
Quantity Description signal_73_RG_H1-74_RG_H1.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=206,721 The DISTANCE action with label d_70_RG_H1-86_RC_H41 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_70_RG_H1-86_RC_H41:
Quantity Description d_70_RG_H1-86_RC_H41.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_70_RG_H1-86_RC_H41the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_70_RG_H1-86_RC_H41 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_70_RG_H1-86_RC_H42:
Quantity Description signal_70_RG_H1-86_RC_H41.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=206,722 The DISTANCE action with label d_70_RG_H1-86_RC_H42 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_70_RG_H1-86_RC_H42:
Quantity Description d_70_RG_H1-86_RC_H42.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_70_RG_H1-86_RC_H42the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_70_RG_H1-86_RC_H42 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_71_RG_H1-85_RC_H41:
Quantity Description signal_70_RG_H1-86_RC_H42.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=240,690 The DISTANCE action with label d_71_RG_H1-85_RC_H41 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_71_RG_H1-85_RC_H41:
Quantity Description d_71_RG_H1-85_RC_H41.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_71_RG_H1-85_RC_H41the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_71_RG_H1-85_RC_H41 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_71_RG_H1-85_RC_H42:
Quantity Description signal_71_RG_H1-85_RC_H41.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=240,691 The DISTANCE action with label d_71_RG_H1-85_RC_H42 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_71_RG_H1-85_RC_H42:
Quantity Description d_71_RG_H1-85_RC_H42.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_71_RG_H1-85_RC_H42the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_71_RG_H1-85_RC_H42 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_72_RU_H3-84_RA_H2:
Quantity Description signal_71_RG_H1-85_RC_H42.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=274,661 The DISTANCE action with label d_72_RU_H3-84_RA_H2 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_72_RU_H3-84_RA_H2:
Quantity Description d_72_RU_H3-84_RA_H2.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_72_RU_H3-84_RA_H2the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_72_RU_H3-84_RA_H2 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_73_RG_H1-83_RC_H41:
Quantity Description signal_72_RU_H3-84_RA_H2.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=304,626 The DISTANCE action with label d_73_RG_H1-83_RC_H41 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_73_RG_H1-83_RC_H41:
Quantity Description d_73_RG_H1-83_RC_H41.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_73_RG_H1-83_RC_H41the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_73_RG_H1-83_RC_H41 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_73_RG_H1-83_RC_H42:
Quantity Description signal_73_RG_H1-83_RC_H41.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=304,627 The DISTANCE action with label d_73_RG_H1-83_RC_H42 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_73_RG_H1-83_RC_H42:
Quantity Description d_73_RG_H1-83_RC_H42.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_73_RG_H1-83_RC_H42the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_73_RG_H1-83_RC_H42 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_74_RG_H1-82_RC_H41:
Quantity Description signal_73_RG_H1-83_RC_H42.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=338,595 The DISTANCE action with label d_74_RG_H1-82_RC_H41 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_74_RG_H1-82_RC_H41:
Quantity Description d_74_RG_H1-82_RC_H41.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_74_RG_H1-82_RC_H41the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_74_RG_H1-82_RC_H41 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_74_RG_H1-82_RC_H42:
Quantity Description signal_74_RG_H1-82_RC_H41.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=338,596 The DISTANCE action with label d_74_RG_H1-82_RC_H42 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_74_RG_H1-82_RC_H42:
Quantity Description d_74_RG_H1-82_RC_H42.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_74_RG_H1-82_RC_H42the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_74_RG_H1-82_RC_H42 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_64_RC5_H6-64_RC5_H1':
Quantity Description signal_74_RG_H1-82_RC_H42.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=13,10 The DISTANCE action with label d_64_RC5_H6-64_RC5_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_64_RC5_H6-64_RC5_H1':
Quantity Description d_64_RC5_H6-64_RC5_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_64_RC5_H6-64_RC5_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_64_RC5_H6-64_RC5_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_65_RC_H6-64_RC5_H1':
Quantity Description signal_64_RC5_H6-64_RC5_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=44,10 The DISTANCE action with label d_65_RC_H6-64_RC5_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_65_RC_H6-64_RC5_H1':
Quantity Description d_65_RC_H6-64_RC5_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_65_RC_H6-64_RC5_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_65_RC_H6-64_RC5_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_66_RU_H6-65_RC_H1':
Quantity Description signal_65_RC_H6-64_RC5_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=75,41 The DISTANCE action with label d_66_RU_H6-65_RC_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_66_RU_H6-65_RC_H1':
Quantity Description d_66_RU_H6-65_RC_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_66_RU_H6-65_RC_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_66_RU_H6-65_RC_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_66_RU_H6-65_RC_H6:
Quantity Description signal_66_RU_H6-65_RC_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=75,44 The DISTANCE action with label d_66_RU_H6-65_RC_H6 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_66_RU_H6-65_RC_H6:
Quantity Description d_66_RU_H6-65_RC_H6.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_66_RU_H6-65_RC_H6the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_66_RU_H6-65_RC_H6 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_67_RC_H6-66_RU_H6:
Quantity Description signal_66_RU_H6-65_RC_H6.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=105,75 The DISTANCE action with label d_67_RC_H6-66_RU_H6 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_67_RC_H6-66_RU_H6:
Quantity Description d_67_RC_H6-66_RU_H6.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_67_RC_H6-66_RU_H6the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_67_RC_H6-66_RU_H6 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_67_RC_H6-68_RG_H8:
Quantity Description signal_67_RC_H6-66_RU_H6.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=105,136 The DISTANCE action with label d_67_RC_H6-68_RG_H8 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_67_RC_H6-68_RG_H8:
Quantity Description d_67_RC_H6-68_RG_H8.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_67_RC_H6-68_RG_H8the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_67_RC_H6-68_RG_H8 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_67_RC_H6-67_RC_H1':
Quantity Description signal_67_RC_H6-68_RG_H8.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=105,102 The DISTANCE action with label d_67_RC_H6-67_RC_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_67_RC_H6-67_RC_H1':
Quantity Description d_67_RC_H6-67_RC_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_67_RC_H6-67_RC_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_67_RC_H6-67_RC_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_67_RC_H6-66_RU_H1':
Quantity Description signal_67_RC_H6-67_RC_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=105,72 The DISTANCE action with label d_67_RC_H6-66_RU_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_67_RC_H6-66_RU_H1':
Quantity Description d_67_RC_H6-66_RU_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_67_RC_H6-66_RU_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_67_RC_H6-66_RU_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_68_RG_H8-68_RG_H1':
Quantity Description signal_67_RC_H6-66_RU_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=136,133 The DISTANCE action with label d_68_RG_H8-68_RG_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_68_RG_H8-68_RG_H1':
Quantity Description d_68_RG_H8-68_RG_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_68_RG_H8-68_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_68_RG_H8-68_RG_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_68_RG_H8-67_RC_H1':
Quantity Description signal_68_RG_H8-68_RG_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=136,102 The DISTANCE action with label d_68_RG_H8-67_RC_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_68_RG_H8-67_RC_H1':
Quantity Description d_68_RG_H8-67_RC_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_68_RG_H8-67_RC_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_68_RG_H8-67_RC_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_68_RG_H8-69_RU_H5:
Quantity Description signal_68_RG_H8-67_RC_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=136,172 The DISTANCE action with label d_68_RG_H8-69_RU_H5 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_68_RG_H8-69_RU_H5:
Quantity Description d_68_RG_H8-69_RU_H5.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_68_RG_H8-69_RU_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_68_RG_H8-69_RU_H5 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_68_RG_H1'-69_RU_H5:
Quantity Description signal_68_RG_H8-69_RU_H5.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=133,172 The DISTANCE action with label d_68_RG_H1'-69_RU_H5 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_68_RG_H1'-69_RU_H5:
Quantity Description d_68_RG_H1'-69_RU_H5.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_68_RG_H1'-69_RU_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_68_RG_H1'-69_RU_H5 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_69_RU_H6-69_RU_H1':
Quantity Description signal_68_RG_H1'-69_RU_H5.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=170,167 The DISTANCE action with label d_69_RU_H6-69_RU_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_69_RU_H6-69_RU_H1':
Quantity Description d_69_RU_H6-69_RU_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_69_RU_H6-69_RU_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_69_RU_H6-69_RU_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_69_RU_H6-68_RG_H1':
Quantity Description signal_69_RU_H6-69_RU_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=170,133 The DISTANCE action with label d_69_RU_H6-68_RG_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_69_RU_H6-68_RG_H1':
Quantity Description d_69_RU_H6-68_RG_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_69_RU_H6-68_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_69_RU_H6-68_RG_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_69_RU_H1'-69_RU_H5:
Quantity Description signal_69_RU_H6-68_RG_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=167,172 The DISTANCE action with label d_69_RU_H1'-69_RU_H5 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_69_RU_H1'-69_RU_H5:
Quantity Description d_69_RU_H1'-69_RU_H5.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_69_RU_H1'-69_RU_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_69_RU_H1'-69_RU_H5 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_70_RG_H8-71_RG_H8:
Quantity Description signal_69_RU_H1'-69_RU_H5.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=200,234 The DISTANCE action with label d_70_RG_H8-71_RG_H8 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_70_RG_H8-71_RG_H8:
Quantity Description d_70_RG_H8-71_RG_H8.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_70_RG_H8-71_RG_H8the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_70_RG_H8-71_RG_H8 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_70_RG_H8-70_RG_H1':
Quantity Description signal_70_RG_H8-71_RG_H8.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=200,197 The DISTANCE action with label d_70_RG_H8-70_RG_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_70_RG_H8-70_RG_H1':
Quantity Description d_70_RG_H8-70_RG_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_70_RG_H8-70_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_70_RG_H8-70_RG_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_70_RG_H8-69_RU_H1':
Quantity Description signal_70_RG_H8-70_RG_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=200,167 The DISTANCE action with label d_70_RG_H8-69_RU_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_70_RG_H8-69_RU_H1':
Quantity Description d_70_RG_H8-69_RU_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_70_RG_H8-69_RU_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_70_RG_H8-69_RU_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_71_RG_H8-72_RU_H6:
Quantity Description signal_70_RG_H8-69_RU_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=234,268 The DISTANCE action with label d_71_RG_H8-72_RU_H6 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_71_RG_H8-72_RU_H6:
Quantity Description d_71_RG_H8-72_RU_H6.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_71_RG_H8-72_RU_H6the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_71_RG_H8-72_RU_H6 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_71_RG_H8-70_RG_H1':
Quantity Description signal_71_RG_H8-72_RU_H6.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=234,197 The DISTANCE action with label d_71_RG_H8-70_RG_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_71_RG_H8-70_RG_H1':
Quantity Description d_71_RG_H8-70_RG_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_71_RG_H8-70_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_71_RG_H8-70_RG_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_71_RG_H8-71_RG_H1':
Quantity Description signal_71_RG_H8-70_RG_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=234,231 The DISTANCE action with label d_71_RG_H8-71_RG_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_71_RG_H8-71_RG_H1':
Quantity Description d_71_RG_H8-71_RG_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_71_RG_H8-71_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_71_RG_H8-71_RG_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_71_RG_H8-72_RU_H5:
Quantity Description signal_71_RG_H8-71_RG_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=234,270 The DISTANCE action with label d_71_RG_H8-72_RU_H5 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_71_RG_H8-72_RU_H5:
Quantity Description d_71_RG_H8-72_RU_H5.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_71_RG_H8-72_RU_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_71_RG_H8-72_RU_H5 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_71_RG_H1'-72_RU_H5:
Quantity Description signal_71_RG_H8-72_RU_H5.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=231,270 The DISTANCE action with label d_71_RG_H1'-72_RU_H5 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_71_RG_H1'-72_RU_H5:
Quantity Description d_71_RG_H1'-72_RU_H5.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_71_RG_H1'-72_RU_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_71_RG_H1'-72_RU_H5 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_72_RU_H6-72_RU_H1':
Quantity Description signal_71_RG_H1'-72_RU_H5.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=268,265 The DISTANCE action with label d_72_RU_H6-72_RU_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_72_RU_H6-72_RU_H1':
Quantity Description d_72_RU_H6-72_RU_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_72_RU_H6-72_RU_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_72_RU_H6-72_RU_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_72_RU_H1'-72_RU_H5:
Quantity Description signal_72_RU_H6-72_RU_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=265,270 The DISTANCE action with label d_72_RU_H1'-72_RU_H5 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_72_RU_H1'-72_RU_H5:
Quantity Description d_72_RU_H1'-72_RU_H5.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_72_RU_H1'-72_RU_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_72_RU_H1'-72_RU_H5 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_73_RG_H8-72_RU_H1':
Quantity Description signal_72_RU_H1'-72_RU_H5.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=298,265 The DISTANCE action with label d_73_RG_H8-72_RU_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_73_RG_H8-72_RU_H1':
Quantity Description d_73_RG_H8-72_RU_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_73_RG_H8-72_RU_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_73_RG_H8-72_RU_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_73_RG_H8-73_RG_H1':
Quantity Description signal_73_RG_H8-72_RU_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=298,295 The DISTANCE action with label d_73_RG_H8-73_RG_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_73_RG_H8-73_RG_H1':
Quantity Description d_73_RG_H8-73_RG_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_73_RG_H8-73_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_73_RG_H8-73_RG_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_73_RG_H8-72_RU_H5:
Quantity Description signal_73_RG_H8-73_RG_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=298,270 The DISTANCE action with label d_73_RG_H8-72_RU_H5 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_73_RG_H8-72_RU_H5:
Quantity Description d_73_RG_H8-72_RU_H5.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_73_RG_H8-72_RU_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_73_RG_H8-72_RU_H5 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_74_RG_H8-73_RG_H8:
Quantity Description signal_73_RG_H8-72_RU_H5.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=332,298 The DISTANCE action with label d_74_RG_H8-73_RG_H8 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_74_RG_H8-73_RG_H8:
Quantity Description d_74_RG_H8-73_RG_H8.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_74_RG_H8-73_RG_H8the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_74_RG_H8-73_RG_H8 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_74_RG_H8-75_RU_H6:
Quantity Description signal_74_RG_H8-73_RG_H8.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=332,366 The DISTANCE action with label d_74_RG_H8-75_RU_H6 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_74_RG_H8-75_RU_H6:
Quantity Description d_74_RG_H8-75_RU_H6.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_74_RG_H8-75_RU_H6the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_74_RG_H8-75_RU_H6 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_74_RG_H8-73_RG_H1':
Quantity Description signal_74_RG_H8-75_RU_H6.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=332,295 The DISTANCE action with label d_74_RG_H8-73_RG_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_74_RG_H8-73_RG_H1':
Quantity Description d_74_RG_H8-73_RG_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_74_RG_H8-73_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_74_RG_H8-73_RG_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_74_RG_H8-74_RG_H1':
Quantity Description signal_74_RG_H8-73_RG_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=332,329 The DISTANCE action with label d_74_RG_H8-74_RG_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_74_RG_H8-74_RG_H1':
Quantity Description d_74_RG_H8-74_RG_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_74_RG_H8-74_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_74_RG_H8-74_RG_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_74_RG_H8-75_RU_H5:
Quantity Description signal_74_RG_H8-74_RG_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=332,368 The DISTANCE action with label d_74_RG_H8-75_RU_H5 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_74_RG_H8-75_RU_H5:
Quantity Description d_74_RG_H8-75_RU_H5.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_74_RG_H8-75_RU_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_74_RG_H8-75_RU_H5 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_74_RG_H1'-75_RU_H5:
Quantity Description signal_74_RG_H8-75_RU_H5.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=329,368 The DISTANCE action with label d_74_RG_H1'-75_RU_H5 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_74_RG_H1'-75_RU_H5:
Quantity Description d_74_RG_H1'-75_RU_H5.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_74_RG_H1'-75_RU_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_74_RG_H1'-75_RU_H5 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_75_RU_H6-74_RG_H1':
Quantity Description signal_74_RG_H1'-75_RU_H5.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=366,329 The DISTANCE action with label d_75_RU_H6-74_RG_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_75_RU_H6-74_RG_H1':
Quantity Description d_75_RU_H6-74_RG_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_75_RU_H6-74_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_75_RU_H6-74_RG_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_75_RU_H6-75_RU_H1':
Quantity Description signal_75_RU_H6-74_RG_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=366,363 The DISTANCE action with label d_75_RU_H6-75_RU_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_75_RU_H6-75_RU_H1':
Quantity Description d_75_RU_H6-75_RU_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_75_RU_H6-75_RU_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_75_RU_H6-75_RU_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_75_RU_H6-76_RU_H6:
Quantity Description signal_75_RU_H6-75_RU_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=366,396 The DISTANCE action with label d_75_RU_H6-76_RU_H6 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_75_RU_H6-76_RU_H6:
Quantity Description d_75_RU_H6-76_RU_H6.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_75_RU_H6-76_RU_H6the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_75_RU_H6-76_RU_H6 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_75_RU_H1'-75_RU_H5:
Quantity Description signal_75_RU_H6-76_RU_H6.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=363,368 The DISTANCE action with label d_75_RU_H1'-75_RU_H5 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_75_RU_H1'-75_RU_H5:
Quantity Description d_75_RU_H1'-75_RU_H5.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_75_RU_H1'-75_RU_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_75_RU_H1'-75_RU_H5 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_75_RU_H5-76_RU_H5:
Quantity Description signal_75_RU_H1'-75_RU_H5.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=368,398 The DISTANCE action with label d_75_RU_H5-76_RU_H5 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_75_RU_H5-76_RU_H5:
Quantity Description d_75_RU_H5-76_RU_H5.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_75_RU_H5-76_RU_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_75_RU_H5-76_RU_H5 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_76_RU_H6-76_RU_H1':
Quantity Description signal_75_RU_H5-76_RU_H5.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=396,393 The DISTANCE action with label d_76_RU_H6-76_RU_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_76_RU_H6-76_RU_H1':
Quantity Description d_76_RU_H6-76_RU_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_76_RU_H6-76_RU_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_76_RU_H6-76_RU_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_76_RU_H6-75_RU_H5:
Quantity Description signal_76_RU_H6-76_RU_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=396,368 The DISTANCE action with label d_76_RU_H6-75_RU_H5 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_76_RU_H6-75_RU_H5:
Quantity Description d_76_RU_H6-75_RU_H5.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_76_RU_H6-75_RU_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_76_RU_H6-75_RU_H5 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_77_RG_H8-76_RU_H6:
Quantity Description signal_76_RU_H6-75_RU_H5.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=426,396 The DISTANCE action with label d_77_RG_H8-76_RU_H6 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_77_RG_H8-76_RU_H6:
Quantity Description d_77_RG_H8-76_RU_H6.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_77_RG_H8-76_RU_H6the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_77_RG_H8-76_RU_H6 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_77_RG_H8-78_RU_H6:
Quantity Description signal_77_RG_H8-76_RU_H6.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=426,460 The DISTANCE action with label d_77_RG_H8-78_RU_H6 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_77_RG_H8-78_RU_H6:
Quantity Description d_77_RG_H8-78_RU_H6.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_77_RG_H8-78_RU_H6the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_77_RG_H8-78_RU_H6 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_77_RG_H8-77_RG_H1':
Quantity Description signal_77_RG_H8-78_RU_H6.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=426,423 The DISTANCE action with label d_77_RG_H8-77_RG_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_77_RG_H8-77_RG_H1':
Quantity Description d_77_RG_H8-77_RG_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_77_RG_H8-77_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_77_RG_H8-77_RG_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_77_RG_H8-76_RU_H1':
Quantity Description signal_77_RG_H8-77_RG_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=426,393 The DISTANCE action with label d_77_RG_H8-76_RU_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_77_RG_H8-76_RU_H1':
Quantity Description d_77_RG_H8-76_RU_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_77_RG_H8-76_RU_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_77_RG_H8-76_RU_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_77_RG_H8-76_RU_H5:
Quantity Description signal_77_RG_H8-76_RU_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=426,398 The DISTANCE action with label d_77_RG_H8-76_RU_H5 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_77_RG_H8-76_RU_H5:
Quantity Description d_77_RG_H8-76_RU_H5.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_77_RG_H8-76_RU_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_77_RG_H8-76_RU_H5 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_78_RU_H6-78_RU_H1':
Quantity Description signal_77_RG_H8-76_RU_H5.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=460,457 The DISTANCE action with label d_78_RU_H6-78_RU_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_78_RU_H6-78_RU_H1':
Quantity Description d_78_RU_H6-78_RU_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_78_RU_H6-78_RU_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_78_RU_H6-78_RU_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_78_RU_H6-79_RG_H8:
Quantity Description signal_78_RU_H6-78_RU_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=460,490 The DISTANCE action with label d_78_RU_H6-79_RG_H8 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_78_RU_H6-79_RG_H8:
Quantity Description d_78_RU_H6-79_RG_H8.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_78_RU_H6-79_RG_H8the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_78_RU_H6-79_RG_H8 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_79_RG_H8-78_RU_H1':
Quantity Description signal_78_RU_H6-79_RG_H8.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=490,457 The DISTANCE action with label d_79_RG_H8-78_RU_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_79_RG_H8-78_RU_H1':
Quantity Description d_79_RG_H8-78_RU_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_79_RG_H8-78_RU_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_79_RG_H8-78_RU_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_79_RG_H8-79_RG_H1':
Quantity Description signal_79_RG_H8-78_RU_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=490,487 The DISTANCE action with label d_79_RG_H8-79_RG_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_79_RG_H8-79_RG_H1':
Quantity Description d_79_RG_H8-79_RG_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_79_RG_H8-79_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_79_RG_H8-79_RG_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_79_RG_H8-77_RG_H1':
Quantity Description signal_79_RG_H8-79_RG_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=490,423 The DISTANCE action with label d_79_RG_H8-77_RG_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_79_RG_H8-77_RG_H1':
Quantity Description d_79_RG_H8-77_RG_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_79_RG_H8-77_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_79_RG_H8-77_RG_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_80_RA_H8-79_RG_H1':
Quantity Description signal_79_RG_H8-77_RG_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=524,487 The DISTANCE action with label d_80_RA_H8-79_RG_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_80_RA_H8-79_RG_H1':
Quantity Description d_80_RA_H8-79_RG_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_80_RA_H8-79_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_80_RA_H8-79_RG_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_80_RA_H8-80_RA_H1':
Quantity Description signal_80_RA_H8-79_RG_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=524,521 The DISTANCE action with label d_80_RA_H8-80_RA_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_80_RA_H8-80_RA_H1':
Quantity Description d_80_RA_H8-80_RA_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_80_RA_H8-80_RA_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_80_RA_H8-80_RA_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_80_RA_H8-79_RG_H8:
Quantity Description signal_80_RA_H8-80_RA_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=524,490 The DISTANCE action with label d_80_RA_H8-79_RG_H8 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_80_RA_H8-79_RG_H8:
Quantity Description d_80_RA_H8-79_RG_H8.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_80_RA_H8-79_RG_H8the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_80_RA_H8-79_RG_H8 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_80_RA_H8-81_RA_H8:
Quantity Description signal_80_RA_H8-79_RG_H8.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=524,557 The DISTANCE action with label d_80_RA_H8-81_RA_H8 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_80_RA_H8-81_RA_H8:
Quantity Description d_80_RA_H8-81_RA_H8.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_80_RA_H8-81_RA_H8the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_80_RA_H8-81_RA_H8 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_80_RA_H2-77_RG_H1':
Quantity Description signal_80_RA_H8-81_RA_H8.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=533,423 The DISTANCE action with label d_80_RA_H2-77_RG_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_80_RA_H2-77_RG_H1':
Quantity Description d_80_RA_H2-77_RG_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_80_RA_H2-77_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_80_RA_H2-77_RG_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_80_RA_H2-79_RG_H1':
Quantity Description signal_80_RA_H2-77_RG_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=533,487 The DISTANCE action with label d_80_RA_H2-79_RG_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_80_RA_H2-79_RG_H1':
Quantity Description d_80_RA_H2-79_RG_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_80_RA_H2-79_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_80_RA_H2-79_RG_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_80_RA_H2-81_RA_H1':
Quantity Description signal_80_RA_H2-79_RG_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=533,554 The DISTANCE action with label d_80_RA_H2-81_RA_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_80_RA_H2-81_RA_H1':
Quantity Description d_80_RA_H2-81_RA_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_80_RA_H2-81_RA_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_80_RA_H2-81_RA_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_80_RA_H2-79_RG_H8:
Quantity Description signal_80_RA_H2-81_RA_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=533,490 The DISTANCE action with label d_80_RA_H2-79_RG_H8 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_80_RA_H2-79_RG_H8:
Quantity Description d_80_RA_H2-79_RG_H8.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_80_RA_H2-79_RG_H8the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_80_RA_H2-79_RG_H8 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_80_RA_H2-81_RA_H8:
Quantity Description signal_80_RA_H2-79_RG_H8.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=533,557 The DISTANCE action with label d_80_RA_H2-81_RA_H8 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_80_RA_H2-81_RA_H8:
Quantity Description d_80_RA_H2-81_RA_H8.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_80_RA_H2-81_RA_H8the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_80_RA_H2-81_RA_H8 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_80_RA_H2-81_RA_H2:
Quantity Description signal_80_RA_H2-81_RA_H8.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=533,566 The DISTANCE action with label d_80_RA_H2-81_RA_H2 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_80_RA_H2-81_RA_H2:
Quantity Description d_80_RA_H2-81_RA_H2.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_80_RA_H2-81_RA_H2the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_80_RA_H2-81_RA_H2 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_81_RA_H8-82_RC_H6:
Quantity Description signal_80_RA_H2-81_RA_H2.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=557,590 The DISTANCE action with label d_81_RA_H8-82_RC_H6 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_81_RA_H8-82_RC_H6:
Quantity Description d_81_RA_H8-82_RC_H6.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_81_RA_H8-82_RC_H6the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_81_RA_H8-82_RC_H6 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_81_RA_H8-80_RA_H1':
Quantity Description signal_81_RA_H8-82_RC_H6.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=557,521 The DISTANCE action with label d_81_RA_H8-80_RA_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_81_RA_H8-80_RA_H1':
Quantity Description d_81_RA_H8-80_RA_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_81_RA_H8-80_RA_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_81_RA_H8-80_RA_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_81_RA_H8-81_RA_H1':
Quantity Description signal_81_RA_H8-80_RA_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=557,554 The DISTANCE action with label d_81_RA_H8-81_RA_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_81_RA_H8-81_RA_H1':
Quantity Description d_81_RA_H8-81_RA_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_81_RA_H8-81_RA_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_81_RA_H8-81_RA_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_81_RA_H8-82_RC_H5:
Quantity Description signal_81_RA_H8-81_RA_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=557,592 The DISTANCE action with label d_81_RA_H8-82_RC_H5 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_81_RA_H8-82_RC_H5:
Quantity Description d_81_RA_H8-82_RC_H5.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_81_RA_H8-82_RC_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_81_RA_H8-82_RC_H5 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_81_RA_H2-81_RA_H1':
Quantity Description signal_81_RA_H8-82_RC_H5.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=566,554 The DISTANCE action with label d_81_RA_H2-81_RA_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_81_RA_H2-81_RA_H1':
Quantity Description d_81_RA_H2-81_RA_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_81_RA_H2-81_RA_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_81_RA_H2-81_RA_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_81_RA_H2-76_RU_H1':
Quantity Description signal_81_RA_H2-81_RA_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=566,393 The DISTANCE action with label d_81_RA_H2-76_RU_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_81_RA_H2-76_RU_H1':
Quantity Description d_81_RA_H2-76_RU_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_81_RA_H2-76_RU_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_81_RA_H2-76_RU_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_81_RA_H2-82_RC_H1':
Quantity Description signal_81_RA_H2-76_RU_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=566,587 The DISTANCE action with label d_81_RA_H2-82_RC_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_81_RA_H2-82_RC_H1':
Quantity Description d_81_RA_H2-82_RC_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_81_RA_H2-82_RC_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_81_RA_H2-82_RC_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_81_RA_H1'-80_RA_H1':
Quantity Description signal_81_RA_H2-82_RC_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=554,521 The DISTANCE action with label d_81_RA_H1'-80_RA_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_81_RA_H1'-80_RA_H1':
Quantity Description d_81_RA_H1'-80_RA_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_81_RA_H1'-80_RA_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_81_RA_H1'-80_RA_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_81_RA_H1'-82_RC_H5:
Quantity Description signal_81_RA_H1'-80_RA_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=554,592 The DISTANCE action with label d_81_RA_H1'-82_RC_H5 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_81_RA_H1'-82_RC_H5:
Quantity Description d_81_RA_H1'-82_RC_H5.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_81_RA_H1'-82_RC_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_81_RA_H1'-82_RC_H5 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_82_RC_H6-83_RC_H6:
Quantity Description signal_81_RA_H1'-82_RC_H5.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=590,621 The DISTANCE action with label d_82_RC_H6-83_RC_H6 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_82_RC_H6-83_RC_H6:
Quantity Description d_82_RC_H6-83_RC_H6.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_82_RC_H6-83_RC_H6the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_82_RC_H6-83_RC_H6 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_82_RC_H6-81_RA_H1':
Quantity Description signal_82_RC_H6-83_RC_H6.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=590,554 The DISTANCE action with label d_82_RC_H6-81_RA_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_82_RC_H6-81_RA_H1':
Quantity Description d_82_RC_H6-81_RA_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_82_RC_H6-81_RA_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_82_RC_H6-81_RA_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_82_RC_H6-82_RC_H1':
Quantity Description signal_82_RC_H6-81_RA_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=590,587 The DISTANCE action with label d_82_RC_H6-82_RC_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_82_RC_H6-82_RC_H1':
Quantity Description d_82_RC_H6-82_RC_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_82_RC_H6-82_RC_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_82_RC_H6-82_RC_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_82_RC_H1'-82_RC_H5:
Quantity Description signal_82_RC_H6-82_RC_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=587,592 The DISTANCE action with label d_82_RC_H1'-82_RC_H5 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_82_RC_H1'-82_RC_H5:
Quantity Description d_82_RC_H1'-82_RC_H5.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_82_RC_H1'-82_RC_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_82_RC_H1'-82_RC_H5 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_82_RC_H5-83_RC_H5:
Quantity Description signal_82_RC_H1'-82_RC_H5.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=592,623 The DISTANCE action with label d_82_RC_H5-83_RC_H5 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_82_RC_H5-83_RC_H5:
Quantity Description d_82_RC_H5-83_RC_H5.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_82_RC_H5-83_RC_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_82_RC_H5-83_RC_H5 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_83_RC_H6-82_RC_H1':
Quantity Description signal_82_RC_H5-83_RC_H5.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=621,587 The DISTANCE action with label d_83_RC_H6-82_RC_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_83_RC_H6-82_RC_H1':
Quantity Description d_83_RC_H6-82_RC_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_83_RC_H6-82_RC_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_83_RC_H6-82_RC_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_83_RC_H6-83_RC_H1':
Quantity Description signal_83_RC_H6-82_RC_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=621,618 The DISTANCE action with label d_83_RC_H6-83_RC_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_83_RC_H6-83_RC_H1':
Quantity Description d_83_RC_H6-83_RC_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_83_RC_H6-83_RC_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_83_RC_H6-83_RC_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_84_RA_H8-83_RC_H6:
Quantity Description signal_83_RC_H6-83_RC_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=652,621 The DISTANCE action with label d_84_RA_H8-83_RC_H6 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_84_RA_H8-83_RC_H6:
Quantity Description d_84_RA_H8-83_RC_H6.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_84_RA_H8-83_RC_H6the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_84_RA_H8-83_RC_H6 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_84_RA_H8-85_RC_H6:
Quantity Description signal_84_RA_H8-83_RC_H6.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=652,685 The DISTANCE action with label d_84_RA_H8-85_RC_H6 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_84_RA_H8-85_RC_H6:
Quantity Description d_84_RA_H8-85_RC_H6.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_84_RA_H8-85_RC_H6the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_84_RA_H8-85_RC_H6 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_84_RA_H8-83_RC_H1':
Quantity Description signal_84_RA_H8-85_RC_H6.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=652,618 The DISTANCE action with label d_84_RA_H8-83_RC_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_84_RA_H8-83_RC_H1':
Quantity Description d_84_RA_H8-83_RC_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_84_RA_H8-83_RC_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_84_RA_H8-83_RC_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_84_RA_H8-84_RA_H1':
Quantity Description signal_84_RA_H8-83_RC_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=652,649 The DISTANCE action with label d_84_RA_H8-84_RA_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_84_RA_H8-84_RA_H1':
Quantity Description d_84_RA_H8-84_RA_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_84_RA_H8-84_RA_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_84_RA_H8-84_RA_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_84_RA_H8-83_RC_H5:
Quantity Description signal_84_RA_H8-84_RA_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=652,623 The DISTANCE action with label d_84_RA_H8-83_RC_H5 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_84_RA_H8-83_RC_H5:
Quantity Description d_84_RA_H8-83_RC_H5.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_84_RA_H8-83_RC_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_84_RA_H8-83_RC_H5 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_84_RA_H8-85_RC_H5:
Quantity Description signal_84_RA_H8-83_RC_H5.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=652,687 The DISTANCE action with label d_84_RA_H8-85_RC_H5 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_84_RA_H8-85_RC_H5:
Quantity Description d_84_RA_H8-85_RC_H5.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_84_RA_H8-85_RC_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_84_RA_H8-85_RC_H5 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_84_RA_H2-84_RA_H1':
Quantity Description signal_84_RA_H8-85_RC_H5.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=661,649 The DISTANCE action with label d_84_RA_H2-84_RA_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_84_RA_H2-84_RA_H1':
Quantity Description d_84_RA_H2-84_RA_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_84_RA_H2-84_RA_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_84_RA_H2-84_RA_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_84_RA_H2-73_RG_H1':
Quantity Description signal_84_RA_H2-84_RA_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=661,295 The DISTANCE action with label d_84_RA_H2-73_RG_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_84_RA_H2-73_RG_H1':
Quantity Description d_84_RA_H2-73_RG_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_84_RA_H2-73_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_84_RA_H2-73_RG_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_84_RA_H2-85_RC_H1':
Quantity Description signal_84_RA_H2-73_RG_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=661,682 The DISTANCE action with label d_84_RA_H2-85_RC_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_84_RA_H2-85_RC_H1':
Quantity Description d_84_RA_H2-85_RC_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_84_RA_H2-85_RC_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_84_RA_H2-85_RC_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_84_RA_H1'-85_RC_H5:
Quantity Description signal_84_RA_H2-85_RC_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=649,687 The DISTANCE action with label d_84_RA_H1'-85_RC_H5 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_84_RA_H1'-85_RC_H5:
Quantity Description d_84_RA_H1'-85_RC_H5.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_84_RA_H1'-85_RC_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_84_RA_H1'-85_RC_H5 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_85_RC_H6-84_RA_H1':
Quantity Description signal_84_RA_H1'-85_RC_H5.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=685,649 The DISTANCE action with label d_85_RC_H6-84_RA_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_85_RC_H6-84_RA_H1':
Quantity Description d_85_RC_H6-84_RA_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_85_RC_H6-84_RA_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_85_RC_H6-84_RA_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_85_RC_H6-85_RC_H1':
Quantity Description signal_85_RC_H6-84_RA_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=685,682 The DISTANCE action with label d_85_RC_H6-85_RC_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_85_RC_H6-85_RC_H1':
Quantity Description d_85_RC_H6-85_RC_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_85_RC_H6-85_RC_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_85_RC_H6-85_RC_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_85_RC_H1'-85_RC_H5:
Quantity Description signal_85_RC_H6-85_RC_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=682,687 The DISTANCE action with label d_85_RC_H1'-85_RC_H5 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_85_RC_H1'-85_RC_H5:
Quantity Description d_85_RC_H1'-85_RC_H5.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_85_RC_H1'-85_RC_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_85_RC_H1'-85_RC_H5 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_85_RC_H5-86_RC_H5:
Quantity Description signal_85_RC_H1'-85_RC_H5.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=687,718 The DISTANCE action with label d_85_RC_H5-86_RC_H5 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_85_RC_H5-86_RC_H5:
Quantity Description d_85_RC_H5-86_RC_H5.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_85_RC_H5-86_RC_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_85_RC_H5-86_RC_H5 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_86_RC_H6-86_RC_H1':
Quantity Description signal_85_RC_H5-86_RC_H5.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=716,713 The DISTANCE action with label d_86_RC_H6-86_RC_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_86_RC_H6-86_RC_H1':
Quantity Description d_86_RC_H6-86_RC_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_86_RC_H6-86_RC_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_86_RC_H6-86_RC_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_87_RA_H8-86_RC_H6:
Quantity Description signal_86_RC_H6-86_RC_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=747,716 The DISTANCE action with label d_87_RA_H8-86_RC_H6 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_87_RA_H8-86_RC_H6:
Quantity Description d_87_RA_H8-86_RC_H6.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_87_RA_H8-86_RC_H6the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_87_RA_H8-86_RC_H6 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_87_RA_H8-88_RU_H6:
Quantity Description signal_87_RA_H8-86_RC_H6.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=747,780 The DISTANCE action with label d_87_RA_H8-88_RU_H6 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_87_RA_H8-88_RU_H6:
Quantity Description d_87_RA_H8-88_RU_H6.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_87_RA_H8-88_RU_H6the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_87_RA_H8-88_RU_H6 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_87_RA_H8-86_RC_H1':
Quantity Description signal_87_RA_H8-88_RU_H6.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=747,713 The DISTANCE action with label d_87_RA_H8-86_RC_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_87_RA_H8-86_RC_H1':
Quantity Description d_87_RA_H8-86_RC_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_87_RA_H8-86_RC_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_87_RA_H8-86_RC_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_87_RA_H8-87_RA_H1':
Quantity Description signal_87_RA_H8-86_RC_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=747,744 The DISTANCE action with label d_87_RA_H8-87_RA_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_87_RA_H8-87_RA_H1':
Quantity Description d_87_RA_H8-87_RA_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_87_RA_H8-87_RA_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_87_RA_H8-87_RA_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_87_RA_H8-88_RU_H5:
Quantity Description signal_87_RA_H8-87_RA_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=747,782 The DISTANCE action with label d_87_RA_H8-88_RU_H5 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_87_RA_H8-88_RU_H5:
Quantity Description d_87_RA_H8-88_RU_H5.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_87_RA_H8-88_RU_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_87_RA_H8-88_RU_H5 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_87_RA_H2-87_RA_H1':
Quantity Description signal_87_RA_H8-88_RU_H5.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=756,744 The DISTANCE action with label d_87_RA_H2-87_RA_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_87_RA_H2-87_RA_H1':
Quantity Description d_87_RA_H2-87_RA_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_87_RA_H2-87_RA_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_87_RA_H2-87_RA_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_87_RA_H2-70_RG_H1':
Quantity Description signal_87_RA_H2-87_RA_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=756,197 The DISTANCE action with label d_87_RA_H2-70_RG_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_87_RA_H2-70_RG_H1':
Quantity Description d_87_RA_H2-70_RG_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_87_RA_H2-70_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_87_RA_H2-70_RG_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_87_RA_H2-88_RU_H5:
Quantity Description signal_87_RA_H2-70_RG_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=756,782 The DISTANCE action with label d_87_RA_H2-88_RU_H5 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_87_RA_H2-88_RU_H5:
Quantity Description d_87_RA_H2-88_RU_H5.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_87_RA_H2-88_RU_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_87_RA_H2-88_RU_H5 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_87_RA_H1'-88_RU_H5:
Quantity Description signal_87_RA_H2-88_RU_H5.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=744,782 The DISTANCE action with label d_87_RA_H1'-88_RU_H5 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_87_RA_H1'-88_RU_H5:
Quantity Description d_87_RA_H1'-88_RU_H5.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_87_RA_H1'-88_RU_H5the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_87_RA_H1'-88_RU_H5 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_88_RU_H6-87_RA_H1':
Quantity Description signal_87_RA_H1'-88_RU_H5.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=780,744 The DISTANCE action with label d_88_RU_H6-87_RA_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_88_RU_H6-87_RA_H1':
Quantity Description d_88_RU_H6-87_RA_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_88_RU_H6-87_RA_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_88_RU_H6-87_RA_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_89_RG_H8-88_RU_H6:
Quantity Description signal_88_RU_H6-87_RA_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=810,780 The DISTANCE action with label d_89_RG_H8-88_RU_H6 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_89_RG_H8-88_RU_H6:
Quantity Description d_89_RG_H8-88_RU_H6.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_89_RG_H8-88_RU_H6the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_89_RG_H8-88_RU_H6 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_89_RG_H8-88_RU_H1':
Quantity Description signal_89_RG_H8-88_RU_H6.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=810,777 The DISTANCE action with label d_89_RG_H8-88_RU_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_89_RG_H8-88_RU_H1':
Quantity Description d_89_RG_H8-88_RU_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_89_RG_H8-88_RU_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_89_RG_H8-88_RU_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_89_RG_H8-89_RG_H1':
Quantity Description signal_89_RG_H8-88_RU_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=810,807 The DISTANCE action with label d_89_RG_H8-89_RG_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_89_RG_H8-89_RG_H1':
Quantity Description d_89_RG_H8-89_RG_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_89_RG_H8-89_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_89_RG_H8-89_RG_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_90_RU_H6-89_RG_H1':
Quantity Description signal_89_RG_H8-89_RG_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=844,807 The DISTANCE action with label d_90_RU_H6-89_RG_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_90_RU_H6-89_RG_H1':
Quantity Description d_90_RU_H6-89_RG_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_90_RU_H6-89_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_90_RU_H6-89_RG_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_90_RU_H6-89_RG_H8:
Quantity Description signal_90_RU_H6-89_RG_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=844,810 The DISTANCE action with label d_90_RU_H6-89_RG_H8 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_90_RU_H6-89_RG_H8:
Quantity Description d_90_RU_H6-89_RG_H8.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_90_RU_H6-89_RG_H8the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_90_RU_H6-89_RG_H8 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_90_RU_H6-91_RG_H8:
Quantity Description signal_90_RU_H6-89_RG_H8.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=844,874 The DISTANCE action with label d_90_RU_H6-91_RG_H8 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_90_RU_H6-91_RG_H8:
Quantity Description d_90_RU_H6-91_RG_H8.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_90_RU_H6-91_RG_H8the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_90_RU_H6-91_RG_H8 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_91_RG_H8-91_RG_H1':
Quantity Description signal_90_RU_H6-91_RG_H8.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=874,871 The DISTANCE action with label d_91_RG_H8-91_RG_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_91_RG_H8-91_RG_H1':
Quantity Description d_91_RG_H8-91_RG_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_91_RG_H8-91_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_91_RG_H8-91_RG_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_92_RG3_H8-91_RG_H8:
Quantity Description signal_91_RG_H8-91_RG_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=908,874 The DISTANCE action with label d_92_RG3_H8-91_RG_H8 calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_92_RG3_H8-91_RG_H8:
Quantity Description d_92_RG3_H8-91_RG_H8.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_92_RG3_H8-91_RG_H8the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_92_RG3_H8-91_RG_H8 calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_92_RG3_H8-91_RG_H1':
Quantity Description signal_92_RG3_H8-91_RG_H8.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=908,871 The DISTANCE action with label d_92_RG3_H8-91_RG_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_92_RG3_H8-91_RG_H1':
Quantity Description d_92_RG3_H8-91_RG_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_92_RG3_H8-91_RG_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_92_RG3_H8-91_RG_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the functiond_92_RG3_H8-92_RG3_H1':
Quantity Description signal_92_RG3_H8-91_RG_H1'.value an arbitrary function DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=908,905 The DISTANCE action with label d_92_RG3_H8-92_RG3_H1' calculates the following quantities:the pair of atom that we are calculating the distance betweensignal_92_RG3_H8-92_RG3_H1':
Quantity Description d_92_RG3_H8-92_RG3_H1'.value the DISTANCE between this pair of atoms MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=d_92_RG3_H8-92_RG3_H1the input to this functionFUNC=1/x^6the function you wish to evaluatePERIODIC=NO The MATHEVAL action with label signal_92_RG3_H8-92_RG3_H1' calculates the following quantities:if the output of your function is periodic then you should specify the periodicity of the function
Quantity Description signal_92_RG3_H8-92_RG3_H1'.value an arbitrary function MAXENT...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=HILLSc77a file in which the list of added hills is storedMETADUsed 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=HILLSc78a file in which the list of added hills is storedMETADUsed 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=HILLSc79a file in which the list of added hills is storedMETADUsed 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=HILLSco77a file in which the list of added hills is storedMETADUsed 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=HILLSco78a file in which the list of added hills is storedMETADUsed 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=HILLSco79a file in which the list of added hills is storedFLUSHThis 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