Project ID: plumID:19.072
Source: plumed.0.dat
Originally used with PLUMED version: 2.4
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
Click on the labels of the actions for more information on what each action computes
INCLUDEIncludes an external input file, similar to #include in C preprocessor. More details. Show included file FILEfile to be included=cv.dat
# INCLUDE FILE=cv.dat
The INCLUDE action with label cv.dat calculates somethingMOLINFOThis command is used to provide information on the molecules that are present in your system. More details STRUCTUREa file in pdb format containing a reference structure=SB2_151216_1.pdb MOLTYPE what kind of molecule is contained in the pdb file - usually not needed since protein/RNA/DNA are compatible=rna
The MOLINFO action with label calculates somethingc77: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@chi-77the four atoms that are required to alcullate the chi dihedral for residue 77. Click here for more information.
The TORSION action with label c77 calculates the following quantities: Quantity | Description |
c77.value | the TORSION involving these atoms |
c78: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@chi-78the four atoms that are required to alcullate the chi dihedral for residue 78. Click here for more information.
The TORSION action with label c78 calculates the following quantities: Quantity | Description |
c78.value | the TORSION involving these atoms |
c79: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@chi-79the four atoms that are required to alcullate the chi dihedral for residue 79. Click here for more information.
The TORSION action with label c79 calculates the following quantities: 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 details ENTITY0the atoms that make up a molecule that you wish to align=@base-64the heavy atoms of the base in residue 64. Click here for more information.
com64: COMCalculate the center of mass for a group of atoms. More details ATOMSthe list of atoms which are involved the virtual atom's definition=@base-64the heavy atoms of the base in residue 64. Click here for more information.
The COM action with label com64 calculates somethingWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the atoms that make up a molecule that you wish to align=@base-65the heavy atoms of the base in residue 65. Click here for more information.
com65: COMCalculate the center of mass for a group of atoms. More details ATOMSthe list of atoms which are involved the virtual atom's definition=@base-65the heavy atoms of the base in residue 65. Click here for more information.
The COM action with label com65 calculates somethingWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the atoms that make up a molecule that you wish to align=@base-66the heavy atoms of the base in residue 66. Click here for more information.
com66: COMCalculate the center of mass for a group of atoms. More details ATOMSthe list of atoms which are involved the virtual atom's definition=@base-66the heavy atoms of the base in residue 66. Click here for more information.
The COM action with label com66 calculates somethingWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the atoms that make up a molecule that you wish to align=@base-67the heavy atoms of the base in residue 67. Click here for more information.
com67: COMCalculate the center of mass for a group of atoms. More details ATOMSthe list of atoms which are involved the virtual atom's definition=@base-67the heavy atoms of the base in residue 67. Click here for more information.
The COM action with label com67 calculates somethingWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the atoms that make up a molecule that you wish to align=@base-68the heavy atoms of the base in residue 68. Click here for more information.
com68: COMCalculate the center of mass for a group of atoms. More details ATOMSthe list of atoms which are involved the virtual atom's definition=@base-68the heavy atoms of the base in residue 68. Click here for more information.
The COM action with label com68 calculates somethingWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the atoms that make up a molecule that you wish to align=@base-69the heavy atoms of the base in residue 69. Click here for more information.
com69: COMCalculate the center of mass for a group of atoms. More details ATOMSthe list of atoms which are involved the virtual atom's definition=@base-69the heavy atoms of the base in residue 69. Click here for more information.
The COM action with label com69 calculates somethingWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the atoms that make up a molecule that you wish to align=@base-70the heavy atoms of the base in residue 70. Click here for more information.
com70: COMCalculate the center of mass for a group of atoms. More details ATOMSthe list of atoms which are involved the virtual atom's definition=@base-70the heavy atoms of the base in residue 70. Click here for more information.
The COM action with label com70 calculates somethingWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the atoms that make up a molecule that you wish to align=@base-71the heavy atoms of the base in residue 71. Click here for more information.
com71: COMCalculate the center of mass for a group of atoms. More details ATOMSthe list of atoms which are involved the virtual atom's definition=@base-71the heavy atoms of the base in residue 71. Click here for more information.
The COM action with label com71 calculates somethingWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the atoms that make up a molecule that you wish to align=@base-72the heavy atoms of the base in residue 72. Click here for more information.
com72: COMCalculate the center of mass for a group of atoms. More details ATOMSthe list of atoms which are involved the virtual atom's definition=@base-72the heavy atoms of the base in residue 72. Click here for more information.
The COM action with label com72 calculates somethingWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the atoms that make up a molecule that you wish to align=@base-73the heavy atoms of the base in residue 73. Click here for more information.
com73: COMCalculate the center of mass for a group of atoms. More details ATOMSthe list of atoms which are involved the virtual atom's definition=@base-73the heavy atoms of the base in residue 73. Click here for more information.
The COM action with label com73 calculates somethingWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the atoms that make up a molecule that you wish to align=@base-74the heavy atoms of the base in residue 74. Click here for more information.
com74: COMCalculate the center of mass for a group of atoms. More details ATOMSthe list of atoms which are involved the virtual atom's definition=@base-74the heavy atoms of the base in residue 74. Click here for more information.
The COM action with label com74 calculates somethingWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the atoms that make up a molecule that you wish to align=@base-75the heavy atoms of the base in residue 75. Click here for more information.
com75: COMCalculate the center of mass for a group of atoms. More details ATOMSthe list of atoms which are involved the virtual atom's definition=@base-75the heavy atoms of the base in residue 75. Click here for more information.
The COM action with label com75 calculates somethingWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the atoms that make up a molecule that you wish to align=@base-76the heavy atoms of the base in residue 76. Click here for more information.
com76: COMCalculate the center of mass for a group of atoms. More details ATOMSthe list of atoms which are involved the virtual atom's definition=@base-76the heavy atoms of the base in residue 76. Click here for more information.
The COM action with label com76 calculates somethingWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the atoms that make up a molecule that you wish to align=@base-77the heavy atoms of the base in residue 77. Click here for more information.
com77: COMCalculate the center of mass for a group of atoms. More details ATOMSthe list of atoms which are involved the virtual atom's definition=@base-77the heavy atoms of the base in residue 77. Click here for more information.
The COM action with label com77 calculates somethingWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the atoms that make up a molecule that you wish to align=@base-78the heavy atoms of the base in residue 78. Click here for more information.
com78: COMCalculate the center of mass for a group of atoms. More details ATOMSthe list of atoms which are involved the virtual atom's definition=@base-78the heavy atoms of the base in residue 78. Click here for more information.
The COM action with label com78 calculates somethingWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the atoms that make up a molecule that you wish to align=@base-79the heavy atoms of the base in residue 79. Click here for more information.
com79: COMCalculate the center of mass for a group of atoms. More details ATOMSthe list of atoms which are involved the virtual atom's definition=@base-79the heavy atoms of the base in residue 79. Click here for more information.
The COM action with label com79 calculates somethingWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the atoms that make up a molecule that you wish to align=@base-80the heavy atoms of the base in residue 80. Click here for more information.
com80: COMCalculate the center of mass for a group of atoms. More details ATOMSthe list of atoms which are involved the virtual atom's definition=@base-80the heavy atoms of the base in residue 80. Click here for more information.
The COM action with label com80 calculates somethingWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the atoms that make up a molecule that you wish to align=@base-81the heavy atoms of the base in residue 81. Click here for more information.
com81: COMCalculate the center of mass for a group of atoms. More details ATOMSthe list of atoms which are involved the virtual atom's definition=@base-81the heavy atoms of the base in residue 81. Click here for more information.
The COM action with label com81 calculates somethingWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the atoms that make up a molecule that you wish to align=@base-82the heavy atoms of the base in residue 82. Click here for more information.
com82: COMCalculate the center of mass for a group of atoms. More details ATOMSthe list of atoms which are involved the virtual atom's definition=@base-82the heavy atoms of the base in residue 82. Click here for more information.
The COM action with label com82 calculates somethingWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the atoms that make up a molecule that you wish to align=@base-83the heavy atoms of the base in residue 83. Click here for more information.
com83: COMCalculate the center of mass for a group of atoms. More details ATOMSthe list of atoms which are involved the virtual atom's definition=@base-83the heavy atoms of the base in residue 83. Click here for more information.
The COM action with label com83 calculates somethingWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the atoms that make up a molecule that you wish to align=@base-84the heavy atoms of the base in residue 84. Click here for more information.
com84: COMCalculate the center of mass for a group of atoms. More details ATOMSthe list of atoms which are involved the virtual atom's definition=@base-84the heavy atoms of the base in residue 84. Click here for more information.
The COM action with label com84 calculates somethingWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the atoms that make up a molecule that you wish to align=@base-85the heavy atoms of the base in residue 85. Click here for more information.
com85: COMCalculate the center of mass for a group of atoms. More details ATOMSthe list of atoms which are involved the virtual atom's definition=@base-85the heavy atoms of the base in residue 85. Click here for more information.
The COM action with label com85 calculates somethingWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the atoms that make up a molecule that you wish to align=@base-86the heavy atoms of the base in residue 86. Click here for more information.
com86: COMCalculate the center of mass for a group of atoms. More details ATOMSthe list of atoms which are involved the virtual atom's definition=@base-86the heavy atoms of the base in residue 86. Click here for more information.
The COM action with label com86 calculates somethingWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the atoms that make up a molecule that you wish to align=@base-87the heavy atoms of the base in residue 87. Click here for more information.
com87: COMCalculate the center of mass for a group of atoms. More details ATOMSthe list of atoms which are involved the virtual atom's definition=@base-87the heavy atoms of the base in residue 87. Click here for more information.
The COM action with label com87 calculates somethingWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the atoms that make up a molecule that you wish to align=@base-88the heavy atoms of the base in residue 88. Click here for more information.
com88: COMCalculate the center of mass for a group of atoms. More details ATOMSthe list of atoms which are involved the virtual atom's definition=@base-88the heavy atoms of the base in residue 88. Click here for more information.
The COM action with label com88 calculates somethingWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the atoms that make up a molecule that you wish to align=@base-89the heavy atoms of the base in residue 89. Click here for more information.
com89: COMCalculate the center of mass for a group of atoms. More details ATOMSthe list of atoms which are involved the virtual atom's definition=@base-89the heavy atoms of the base in residue 89. Click here for more information.
The COM action with label com89 calculates somethingWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the atoms that make up a molecule that you wish to align=@base-90the heavy atoms of the base in residue 90. Click here for more information.
com90: COMCalculate the center of mass for a group of atoms. More details ATOMSthe list of atoms which are involved the virtual atom's definition=@base-90the heavy atoms of the base in residue 90. Click here for more information.
The COM action with label com90 calculates somethingWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the atoms that make up a molecule that you wish to align=@base-91the heavy atoms of the base in residue 91. Click here for more information.
com91: COMCalculate the center of mass for a group of atoms. More details ATOMSthe list of atoms which are involved the virtual atom's definition=@base-91the heavy atoms of the base in residue 91. Click here for more information.
The COM action with label com91 calculates somethingWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the atoms that make up a molecule that you wish to align=@base-92the heavy atoms of the base in residue 92. Click here for more information.
com92: COMCalculate the center of mass for a group of atoms. More details ATOMSthe list of atoms which are involved the virtual atom's definition=@base-92the heavy atoms of the base in residue 92. Click here for more information.
The COM action with label com92 calculates somethingd77_64: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com77,com64
The DISTANCE action with label d77_64 calculates the following quantities: Quantity | Description |
d77_64.value | the DISTANCE between this pair of atoms |
d77_65: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com77,com65
The DISTANCE action with label d77_65 calculates the following quantities: Quantity | Description |
d77_65.value | the DISTANCE between this pair of atoms |
d77_66: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com77,com66
The DISTANCE action with label d77_66 calculates the following quantities: Quantity | Description |
d77_66.value | the DISTANCE between this pair of atoms |
d77_67: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com77,com67
The DISTANCE action with label d77_67 calculates the following quantities: Quantity | Description |
d77_67.value | the DISTANCE between this pair of atoms |
d77_68: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com77,com68
The DISTANCE action with label d77_68 calculates the following quantities: Quantity | Description |
d77_68.value | the DISTANCE between this pair of atoms |
d77_69: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com77,com69
The DISTANCE action with label d77_69 calculates the following quantities: Quantity | Description |
d77_69.value | the DISTANCE between this pair of atoms |
d77_70: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com77,com70
The DISTANCE action with label d77_70 calculates the following quantities: Quantity | Description |
d77_70.value | the DISTANCE between this pair of atoms |
d77_71: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com77,com71
The DISTANCE action with label d77_71 calculates the following quantities: Quantity | Description |
d77_71.value | the DISTANCE between this pair of atoms |
d77_72: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com77,com72
The DISTANCE action with label d77_72 calculates the following quantities: Quantity | Description |
d77_72.value | the DISTANCE between this pair of atoms |
d77_73: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com77,com73
The DISTANCE action with label d77_73 calculates the following quantities: Quantity | Description |
d77_73.value | the DISTANCE between this pair of atoms |
d77_74: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com77,com74
The DISTANCE action with label d77_74 calculates the following quantities: Quantity | Description |
d77_74.value | the DISTANCE between this pair of atoms |
d77_75: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com77,com75
The DISTANCE action with label d77_75 calculates the following quantities: Quantity | Description |
d77_75.value | the DISTANCE between this pair of atoms |
d77_76: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com77,com76
The DISTANCE action with label d77_76 calculates the following quantities: Quantity | Description |
d77_76.value | the DISTANCE between this pair of atoms |
d77_78: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com77,com78
The DISTANCE action with label d77_78 calculates the following quantities: Quantity | Description |
d77_78.value | the DISTANCE between this pair of atoms |
d77_79: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com77,com79
The DISTANCE action with label d77_79 calculates the following quantities: Quantity | Description |
d77_79.value | the DISTANCE between this pair of atoms |
d77_80: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com77,com80
The DISTANCE action with label d77_80 calculates the following quantities: Quantity | Description |
d77_80.value | the DISTANCE between this pair of atoms |
d77_81: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com77,com81
The DISTANCE action with label d77_81 calculates the following quantities: Quantity | Description |
d77_81.value | the DISTANCE between this pair of atoms |
d77_82: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com77,com82
The DISTANCE action with label d77_82 calculates the following quantities: Quantity | Description |
d77_82.value | the DISTANCE between this pair of atoms |
d77_83: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com77,com83
The DISTANCE action with label d77_83 calculates the following quantities: Quantity | Description |
d77_83.value | the DISTANCE between this pair of atoms |
d77_84: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com77,com84
The DISTANCE action with label d77_84 calculates the following quantities: Quantity | Description |
d77_84.value | the DISTANCE between this pair of atoms |
d77_85: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com77,com85
The DISTANCE action with label d77_85 calculates the following quantities: Quantity | Description |
d77_85.value | the DISTANCE between this pair of atoms |
d77_86: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com77,com86
The DISTANCE action with label d77_86 calculates the following quantities: Quantity | Description |
d77_86.value | the DISTANCE between this pair of atoms |
d77_87: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com77,com87
The DISTANCE action with label d77_87 calculates the following quantities: Quantity | Description |
d77_87.value | the DISTANCE between this pair of atoms |
d77_88: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com77,com88
The DISTANCE action with label d77_88 calculates the following quantities: Quantity | Description |
d77_88.value | the DISTANCE between this pair of atoms |
d77_89: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com77,com89
The DISTANCE action with label d77_89 calculates the following quantities: Quantity | Description |
d77_89.value | the DISTANCE between this pair of atoms |
d77_90: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com77,com90
The DISTANCE action with label d77_90 calculates the following quantities: Quantity | Description |
d77_90.value | the DISTANCE between this pair of atoms |
d77_91: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com77,com91
The DISTANCE action with label d77_91 calculates the following quantities: Quantity | Description |
d77_91.value | the DISTANCE between this pair of atoms |
d77_92: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com77,com92
The DISTANCE action with label d77_92 calculates the following quantities: Quantity | Description |
d77_92.value | the DISTANCE between this pair of atoms |
sort77: SORTThis function can be used to sort colvars according to their magnitudes. More details ARGthe values input to this function=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
The SORT action with label sort77 calculates the following quantities: Quantity | Description |
sort77.value | sorted |
co77: COORDINATIONCalculate coordination numbers. More details R_0The r_0 parameter of the switching function=0.4 GROUPAFirst list of atoms=com77 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=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
The COORDINATION action with label co77 calculates the following quantities: Quantity | Description |
co77.value | the value of the coordination |
d78_64: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com78,com64
The DISTANCE action with label d78_64 calculates the following quantities: Quantity | Description |
d78_64.value | the DISTANCE between this pair of atoms |
d78_65: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com78,com65
The DISTANCE action with label d78_65 calculates the following quantities: Quantity | Description |
d78_65.value | the DISTANCE between this pair of atoms |
d78_66: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com78,com66
The DISTANCE action with label d78_66 calculates the following quantities: Quantity | Description |
d78_66.value | the DISTANCE between this pair of atoms |
d78_67: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com78,com67
The DISTANCE action with label d78_67 calculates the following quantities: Quantity | Description |
d78_67.value | the DISTANCE between this pair of atoms |
d78_68: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com78,com68
The DISTANCE action with label d78_68 calculates the following quantities: Quantity | Description |
d78_68.value | the DISTANCE between this pair of atoms |
d78_69: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com78,com69
The DISTANCE action with label d78_69 calculates the following quantities: Quantity | Description |
d78_69.value | the DISTANCE between this pair of atoms |
d78_70: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com78,com70
The DISTANCE action with label d78_70 calculates the following quantities: Quantity | Description |
d78_70.value | the DISTANCE between this pair of atoms |
d78_71: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com78,com71
The DISTANCE action with label d78_71 calculates the following quantities: Quantity | Description |
d78_71.value | the DISTANCE between this pair of atoms |
d78_72: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com78,com72
The DISTANCE action with label d78_72 calculates the following quantities: Quantity | Description |
d78_72.value | the DISTANCE between this pair of atoms |
d78_73: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com78,com73
The DISTANCE action with label d78_73 calculates the following quantities: Quantity | Description |
d78_73.value | the DISTANCE between this pair of atoms |
d78_74: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com78,com74
The DISTANCE action with label d78_74 calculates the following quantities: Quantity | Description |
d78_74.value | the DISTANCE between this pair of atoms |
d78_75: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com78,com75
The DISTANCE action with label d78_75 calculates the following quantities: Quantity | Description |
d78_75.value | the DISTANCE between this pair of atoms |
d78_76: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com78,com76
The DISTANCE action with label d78_76 calculates the following quantities: Quantity | Description |
d78_76.value | the DISTANCE between this pair of atoms |
d78_77: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com78,com77
The DISTANCE action with label d78_77 calculates the following quantities: Quantity | Description |
d78_77.value | the DISTANCE between this pair of atoms |
d78_79: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com78,com79
The DISTANCE action with label d78_79 calculates the following quantities: Quantity | Description |
d78_79.value | the DISTANCE between this pair of atoms |
d78_80: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com78,com80
The DISTANCE action with label d78_80 calculates the following quantities: Quantity | Description |
d78_80.value | the DISTANCE between this pair of atoms |
d78_81: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com78,com81
The DISTANCE action with label d78_81 calculates the following quantities: Quantity | Description |
d78_81.value | the DISTANCE between this pair of atoms |
d78_82: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com78,com82
The DISTANCE action with label d78_82 calculates the following quantities: Quantity | Description |
d78_82.value | the DISTANCE between this pair of atoms |
d78_83: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com78,com83
The DISTANCE action with label d78_83 calculates the following quantities: Quantity | Description |
d78_83.value | the DISTANCE between this pair of atoms |
d78_84: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com78,com84
The DISTANCE action with label d78_84 calculates the following quantities: Quantity | Description |
d78_84.value | the DISTANCE between this pair of atoms |
d78_85: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com78,com85
The DISTANCE action with label d78_85 calculates the following quantities: Quantity | Description |
d78_85.value | the DISTANCE between this pair of atoms |
d78_86: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com78,com86
The DISTANCE action with label d78_86 calculates the following quantities: Quantity | Description |
d78_86.value | the DISTANCE between this pair of atoms |
d78_87: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com78,com87
The DISTANCE action with label d78_87 calculates the following quantities: Quantity | Description |
d78_87.value | the DISTANCE between this pair of atoms |
d78_88: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com78,com88
The DISTANCE action with label d78_88 calculates the following quantities: Quantity | Description |
d78_88.value | the DISTANCE between this pair of atoms |
d78_89: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com78,com89
The DISTANCE action with label d78_89 calculates the following quantities: Quantity | Description |
d78_89.value | the DISTANCE between this pair of atoms |
d78_90: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com78,com90
The DISTANCE action with label d78_90 calculates the following quantities: Quantity | Description |
d78_90.value | the DISTANCE between this pair of atoms |
d78_91: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com78,com91
The DISTANCE action with label d78_91 calculates the following quantities: Quantity | Description |
d78_91.value | the DISTANCE between this pair of atoms |
d78_92: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com78,com92
The DISTANCE action with label d78_92 calculates the following quantities: Quantity | Description |
d78_92.value | the DISTANCE between this pair of atoms |
sort78: SORTThis function can be used to sort colvars according to their magnitudes. More details ARGthe values input to this function=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
The SORT action with label sort78 calculates the following quantities: Quantity | Description |
sort78.value | sorted |
co78: COORDINATIONCalculate coordination numbers. More details R_0The r_0 parameter of the switching function=0.4 GROUPAFirst list of atoms=com78 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=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
The COORDINATION action with label co78 calculates the following quantities: Quantity | Description |
co78.value | the value of the coordination |
d79_64: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com79,com64
The DISTANCE action with label d79_64 calculates the following quantities: Quantity | Description |
d79_64.value | the DISTANCE between this pair of atoms |
d79_65: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com79,com65
The DISTANCE action with label d79_65 calculates the following quantities: Quantity | Description |
d79_65.value | the DISTANCE between this pair of atoms |
d79_66: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com79,com66
The DISTANCE action with label d79_66 calculates the following quantities: Quantity | Description |
d79_66.value | the DISTANCE between this pair of atoms |
d79_67: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com79,com67
The DISTANCE action with label d79_67 calculates the following quantities: Quantity | Description |
d79_67.value | the DISTANCE between this pair of atoms |
d79_68: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com79,com68
The DISTANCE action with label d79_68 calculates the following quantities: Quantity | Description |
d79_68.value | the DISTANCE between this pair of atoms |
d79_69: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com79,com69
The DISTANCE action with label d79_69 calculates the following quantities: Quantity | Description |
d79_69.value | the DISTANCE between this pair of atoms |
d79_70: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com79,com70
The DISTANCE action with label d79_70 calculates the following quantities: Quantity | Description |
d79_70.value | the DISTANCE between this pair of atoms |
d79_71: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com79,com71
The DISTANCE action with label d79_71 calculates the following quantities: Quantity | Description |
d79_71.value | the DISTANCE between this pair of atoms |
d79_72: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com79,com72
The DISTANCE action with label d79_72 calculates the following quantities: Quantity | Description |
d79_72.value | the DISTANCE between this pair of atoms |
d79_73: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com79,com73
The DISTANCE action with label d79_73 calculates the following quantities: Quantity | Description |
d79_73.value | the DISTANCE between this pair of atoms |
d79_74: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com79,com74
The DISTANCE action with label d79_74 calculates the following quantities: Quantity | Description |
d79_74.value | the DISTANCE between this pair of atoms |
d79_75: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com79,com75
The DISTANCE action with label d79_75 calculates the following quantities: Quantity | Description |
d79_75.value | the DISTANCE between this pair of atoms |
d79_76: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com79,com76
The DISTANCE action with label d79_76 calculates the following quantities: Quantity | Description |
d79_76.value | the DISTANCE between this pair of atoms |
d79_77: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com79,com77
The DISTANCE action with label d79_77 calculates the following quantities: Quantity | Description |
d79_77.value | the DISTANCE between this pair of atoms |
d79_78: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com79,com78
The DISTANCE action with label d79_78 calculates the following quantities: Quantity | Description |
d79_78.value | the DISTANCE between this pair of atoms |
d79_80: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com79,com80
The DISTANCE action with label d79_80 calculates the following quantities: Quantity | Description |
d79_80.value | the DISTANCE between this pair of atoms |
d79_81: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com79,com81
The DISTANCE action with label d79_81 calculates the following quantities: Quantity | Description |
d79_81.value | the DISTANCE between this pair of atoms |
d79_82: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com79,com82
The DISTANCE action with label d79_82 calculates the following quantities: Quantity | Description |
d79_82.value | the DISTANCE between this pair of atoms |
d79_83: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com79,com83
The DISTANCE action with label d79_83 calculates the following quantities: Quantity | Description |
d79_83.value | the DISTANCE between this pair of atoms |
d79_84: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com79,com84
The DISTANCE action with label d79_84 calculates the following quantities: Quantity | Description |
d79_84.value | the DISTANCE between this pair of atoms |
d79_85: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com79,com85
The DISTANCE action with label d79_85 calculates the following quantities: Quantity | Description |
d79_85.value | the DISTANCE between this pair of atoms |
d79_86: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com79,com86
The DISTANCE action with label d79_86 calculates the following quantities: Quantity | Description |
d79_86.value | the DISTANCE between this pair of atoms |
d79_87: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com79,com87
The DISTANCE action with label d79_87 calculates the following quantities: Quantity | Description |
d79_87.value | the DISTANCE between this pair of atoms |
d79_88: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com79,com88
The DISTANCE action with label d79_88 calculates the following quantities: Quantity | Description |
d79_88.value | the DISTANCE between this pair of atoms |
d79_89: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com79,com89
The DISTANCE action with label d79_89 calculates the following quantities: Quantity | Description |
d79_89.value | the DISTANCE between this pair of atoms |
d79_90: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com79,com90
The DISTANCE action with label d79_90 calculates the following quantities: Quantity | Description |
d79_90.value | the DISTANCE between this pair of atoms |
d79_91: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com79,com91
The DISTANCE action with label d79_91 calculates the following quantities: Quantity | Description |
d79_91.value | the DISTANCE between this pair of atoms |
d79_92: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=com79,com92
The DISTANCE action with label d79_92 calculates the following quantities: Quantity | Description |
d79_92.value | the DISTANCE between this pair of atoms |
sort79: SORTThis function can be used to sort colvars according to their magnitudes. More details ARGthe values input to this function=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
The SORT action with label sort79 calculates the following quantities: Quantity | Description |
sort79.value | sorted |
co79: COORDINATIONCalculate coordination numbers. More details R_0The r_0 parameter of the switching function=0.4 GROUPAFirst list of atoms=com79 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=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
# --- End of included input --- The COORDINATION action with label co79 calculates the following quantities: Quantity | Description |
co79.value | the value of the coordination |
INCLUDEIncludes an external input file, similar to #include in C preprocessor. More details. Show included file FILEfile to be included=plu_maxent_NOE_RECT.dat
# INCLUDE FILE=plu_maxent_NOE_RECT.dat
The INCLUDE action with label plu_maxent_NOE_RECT.dat calculates somethingd_70_RG_H1-71_RG_H1: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=206,240
The DISTANCE action with label d_70_RG_H1-71_RG_H1 calculates the following quantities: Quantity | Description |
d_70_RG_H1-71_RG_H1.value | the DISTANCE between this pair of atoms |
signal_70_RG_H1-71_RG_H1: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_70_RG_H1-71_RG_H1 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_70_RG_H1-71_RG_H1 calculates the following quantities: Quantity | Description |
signal_70_RG_H1-71_RG_H1.value | an arbitrary function |
d_71_RG_H1-72_RU_H3: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=240,274
The DISTANCE action with label d_71_RG_H1-72_RU_H3 calculates the following quantities: Quantity | Description |
d_71_RG_H1-72_RU_H3.value | the DISTANCE between this pair of atoms |
signal_71_RG_H1-72_RU_H3: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_71_RG_H1-72_RU_H3 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_71_RG_H1-72_RU_H3 calculates the following quantities: Quantity | Description |
signal_71_RG_H1-72_RU_H3.value | an arbitrary function |
d_72_RU_H3-73_RG_H1: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=274,304
The DISTANCE action with label d_72_RU_H3-73_RG_H1 calculates the following quantities: Quantity | Description |
d_72_RU_H3-73_RG_H1.value | the DISTANCE between this pair of atoms |
signal_72_RU_H3-73_RG_H1: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_72_RU_H3-73_RG_H1 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_72_RU_H3-73_RG_H1 calculates the following quantities: Quantity | Description |
signal_72_RU_H3-73_RG_H1.value | an arbitrary function |
d_73_RG_H1-74_RG_H1: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=304,338
The DISTANCE action with label d_73_RG_H1-74_RG_H1 calculates the following quantities: Quantity | Description |
d_73_RG_H1-74_RG_H1.value | the DISTANCE between this pair of atoms |
signal_73_RG_H1-74_RG_H1: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_73_RG_H1-74_RG_H1 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_73_RG_H1-74_RG_H1 calculates the following quantities: Quantity | Description |
signal_73_RG_H1-74_RG_H1.value | an arbitrary function |
d_70_RG_H1-86_RC_H41: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=206,721
The DISTANCE action with label d_70_RG_H1-86_RC_H41 calculates the following quantities: Quantity | Description |
d_70_RG_H1-86_RC_H41.value | the DISTANCE between this pair of atoms |
signal_70_RG_H1-86_RC_H41: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_70_RG_H1-86_RC_H41 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_70_RG_H1-86_RC_H41 calculates the following quantities: Quantity | Description |
signal_70_RG_H1-86_RC_H41.value | an arbitrary function |
d_70_RG_H1-86_RC_H42: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=206,722
The DISTANCE action with label d_70_RG_H1-86_RC_H42 calculates the following quantities: Quantity | Description |
d_70_RG_H1-86_RC_H42.value | the DISTANCE between this pair of atoms |
signal_70_RG_H1-86_RC_H42: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_70_RG_H1-86_RC_H42 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_70_RG_H1-86_RC_H42 calculates the following quantities: Quantity | Description |
signal_70_RG_H1-86_RC_H42.value | an arbitrary function |
d_71_RG_H1-85_RC_H41: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=240,690
The DISTANCE action with label d_71_RG_H1-85_RC_H41 calculates the following quantities: Quantity | Description |
d_71_RG_H1-85_RC_H41.value | the DISTANCE between this pair of atoms |
signal_71_RG_H1-85_RC_H41: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_71_RG_H1-85_RC_H41 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_71_RG_H1-85_RC_H41 calculates the following quantities: Quantity | Description |
signal_71_RG_H1-85_RC_H41.value | an arbitrary function |
d_71_RG_H1-85_RC_H42: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=240,691
The DISTANCE action with label d_71_RG_H1-85_RC_H42 calculates the following quantities: Quantity | Description |
d_71_RG_H1-85_RC_H42.value | the DISTANCE between this pair of atoms |
signal_71_RG_H1-85_RC_H42: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_71_RG_H1-85_RC_H42 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_71_RG_H1-85_RC_H42 calculates the following quantities: Quantity | Description |
signal_71_RG_H1-85_RC_H42.value | an arbitrary function |
d_72_RU_H3-84_RA_H2: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=274,661
The DISTANCE action with label d_72_RU_H3-84_RA_H2 calculates the following quantities: Quantity | Description |
d_72_RU_H3-84_RA_H2.value | the DISTANCE between this pair of atoms |
signal_72_RU_H3-84_RA_H2: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_72_RU_H3-84_RA_H2 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_72_RU_H3-84_RA_H2 calculates the following quantities: Quantity | Description |
signal_72_RU_H3-84_RA_H2.value | an arbitrary function |
d_73_RG_H1-83_RC_H41: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=304,626
The DISTANCE action with label d_73_RG_H1-83_RC_H41 calculates the following quantities: Quantity | Description |
d_73_RG_H1-83_RC_H41.value | the DISTANCE between this pair of atoms |
signal_73_RG_H1-83_RC_H41: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_73_RG_H1-83_RC_H41 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_73_RG_H1-83_RC_H41 calculates the following quantities: Quantity | Description |
signal_73_RG_H1-83_RC_H41.value | an arbitrary function |
d_73_RG_H1-83_RC_H42: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=304,627
The DISTANCE action with label d_73_RG_H1-83_RC_H42 calculates the following quantities: Quantity | Description |
d_73_RG_H1-83_RC_H42.value | the DISTANCE between this pair of atoms |
signal_73_RG_H1-83_RC_H42: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_73_RG_H1-83_RC_H42 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_73_RG_H1-83_RC_H42 calculates the following quantities: Quantity | Description |
signal_73_RG_H1-83_RC_H42.value | an arbitrary function |
d_74_RG_H1-82_RC_H41: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=338,595
The DISTANCE action with label d_74_RG_H1-82_RC_H41 calculates the following quantities: Quantity | Description |
d_74_RG_H1-82_RC_H41.value | the DISTANCE between this pair of atoms |
signal_74_RG_H1-82_RC_H41: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_74_RG_H1-82_RC_H41 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_74_RG_H1-82_RC_H41 calculates the following quantities: Quantity | Description |
signal_74_RG_H1-82_RC_H41.value | an arbitrary function |
d_74_RG_H1-82_RC_H42: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=338,596
The DISTANCE action with label d_74_RG_H1-82_RC_H42 calculates the following quantities: Quantity | Description |
d_74_RG_H1-82_RC_H42.value | the DISTANCE between this pair of atoms |
signal_74_RG_H1-82_RC_H42: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_74_RG_H1-82_RC_H42 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_74_RG_H1-82_RC_H42 calculates the following quantities: Quantity | Description |
signal_74_RG_H1-82_RC_H42.value | an arbitrary function |
d_64_RC5_H6-64_RC5_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=13,10
The DISTANCE action with label d_64_RC5_H6-64_RC5_H1' calculates the following quantities: Quantity | Description |
d_64_RC5_H6-64_RC5_H1'.value | the DISTANCE between this pair of atoms |
signal_64_RC5_H6-64_RC5_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_64_RC5_H6-64_RC5_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_64_RC5_H6-64_RC5_H1' calculates the following quantities: Quantity | Description |
signal_64_RC5_H6-64_RC5_H1'.value | an arbitrary function |
d_65_RC_H6-64_RC5_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=44,10
The DISTANCE action with label d_65_RC_H6-64_RC5_H1' calculates the following quantities: Quantity | Description |
d_65_RC_H6-64_RC5_H1'.value | the DISTANCE between this pair of atoms |
signal_65_RC_H6-64_RC5_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_65_RC_H6-64_RC5_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_65_RC_H6-64_RC5_H1' calculates the following quantities: Quantity | Description |
signal_65_RC_H6-64_RC5_H1'.value | an arbitrary function |
d_66_RU_H6-65_RC_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=75,41
The DISTANCE action with label d_66_RU_H6-65_RC_H1' calculates the following quantities: Quantity | Description |
d_66_RU_H6-65_RC_H1'.value | the DISTANCE between this pair of atoms |
signal_66_RU_H6-65_RC_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_66_RU_H6-65_RC_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_66_RU_H6-65_RC_H1' calculates the following quantities: Quantity | Description |
signal_66_RU_H6-65_RC_H1'.value | an arbitrary function |
d_66_RU_H6-65_RC_H6: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=75,44
The DISTANCE action with label d_66_RU_H6-65_RC_H6 calculates the following quantities: Quantity | Description |
d_66_RU_H6-65_RC_H6.value | the DISTANCE between this pair of atoms |
signal_66_RU_H6-65_RC_H6: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_66_RU_H6-65_RC_H6 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_66_RU_H6-65_RC_H6 calculates the following quantities: Quantity | Description |
signal_66_RU_H6-65_RC_H6.value | an arbitrary function |
d_67_RC_H6-66_RU_H6: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=105,75
The DISTANCE action with label d_67_RC_H6-66_RU_H6 calculates the following quantities: Quantity | Description |
d_67_RC_H6-66_RU_H6.value | the DISTANCE between this pair of atoms |
signal_67_RC_H6-66_RU_H6: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_67_RC_H6-66_RU_H6 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_67_RC_H6-66_RU_H6 calculates the following quantities: Quantity | Description |
signal_67_RC_H6-66_RU_H6.value | an arbitrary function |
d_67_RC_H6-68_RG_H8: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=105,136
The DISTANCE action with label d_67_RC_H6-68_RG_H8 calculates the following quantities: Quantity | Description |
d_67_RC_H6-68_RG_H8.value | the DISTANCE between this pair of atoms |
signal_67_RC_H6-68_RG_H8: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_67_RC_H6-68_RG_H8 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_67_RC_H6-68_RG_H8 calculates the following quantities: Quantity | Description |
signal_67_RC_H6-68_RG_H8.value | an arbitrary function |
d_67_RC_H6-67_RC_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=105,102
The DISTANCE action with label d_67_RC_H6-67_RC_H1' calculates the following quantities: Quantity | Description |
d_67_RC_H6-67_RC_H1'.value | the DISTANCE between this pair of atoms |
signal_67_RC_H6-67_RC_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_67_RC_H6-67_RC_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_67_RC_H6-67_RC_H1' calculates the following quantities: Quantity | Description |
signal_67_RC_H6-67_RC_H1'.value | an arbitrary function |
d_67_RC_H6-66_RU_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=105,72
The DISTANCE action with label d_67_RC_H6-66_RU_H1' calculates the following quantities: Quantity | Description |
d_67_RC_H6-66_RU_H1'.value | the DISTANCE between this pair of atoms |
signal_67_RC_H6-66_RU_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_67_RC_H6-66_RU_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_67_RC_H6-66_RU_H1' calculates the following quantities: Quantity | Description |
signal_67_RC_H6-66_RU_H1'.value | an arbitrary function |
d_68_RG_H8-68_RG_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=136,133
The DISTANCE action with label d_68_RG_H8-68_RG_H1' calculates the following quantities: Quantity | Description |
d_68_RG_H8-68_RG_H1'.value | the DISTANCE between this pair of atoms |
signal_68_RG_H8-68_RG_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_68_RG_H8-68_RG_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_68_RG_H8-68_RG_H1' calculates the following quantities: Quantity | Description |
signal_68_RG_H8-68_RG_H1'.value | an arbitrary function |
d_68_RG_H8-67_RC_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=136,102
The DISTANCE action with label d_68_RG_H8-67_RC_H1' calculates the following quantities: Quantity | Description |
d_68_RG_H8-67_RC_H1'.value | the DISTANCE between this pair of atoms |
signal_68_RG_H8-67_RC_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_68_RG_H8-67_RC_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_68_RG_H8-67_RC_H1' calculates the following quantities: Quantity | Description |
signal_68_RG_H8-67_RC_H1'.value | an arbitrary function |
d_68_RG_H8-69_RU_H5: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=136,172
The DISTANCE action with label d_68_RG_H8-69_RU_H5 calculates the following quantities: Quantity | Description |
d_68_RG_H8-69_RU_H5.value | the DISTANCE between this pair of atoms |
signal_68_RG_H8-69_RU_H5: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_68_RG_H8-69_RU_H5 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_68_RG_H8-69_RU_H5 calculates the following quantities: Quantity | Description |
signal_68_RG_H8-69_RU_H5.value | an arbitrary function |
d_68_RG_H1'-69_RU_H5: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=133,172
The DISTANCE action with label d_68_RG_H1'-69_RU_H5 calculates the following quantities: Quantity | Description |
d_68_RG_H1'-69_RU_H5.value | the DISTANCE between this pair of atoms |
signal_68_RG_H1'-69_RU_H5: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_68_RG_H1'-69_RU_H5 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_68_RG_H1'-69_RU_H5 calculates the following quantities: Quantity | Description |
signal_68_RG_H1'-69_RU_H5.value | an arbitrary function |
d_69_RU_H6-69_RU_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=170,167
The DISTANCE action with label d_69_RU_H6-69_RU_H1' calculates the following quantities: Quantity | Description |
d_69_RU_H6-69_RU_H1'.value | the DISTANCE between this pair of atoms |
signal_69_RU_H6-69_RU_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_69_RU_H6-69_RU_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_69_RU_H6-69_RU_H1' calculates the following quantities: Quantity | Description |
signal_69_RU_H6-69_RU_H1'.value | an arbitrary function |
d_69_RU_H6-68_RG_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=170,133
The DISTANCE action with label d_69_RU_H6-68_RG_H1' calculates the following quantities: Quantity | Description |
d_69_RU_H6-68_RG_H1'.value | the DISTANCE between this pair of atoms |
signal_69_RU_H6-68_RG_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_69_RU_H6-68_RG_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_69_RU_H6-68_RG_H1' calculates the following quantities: Quantity | Description |
signal_69_RU_H6-68_RG_H1'.value | an arbitrary function |
d_69_RU_H1'-69_RU_H5: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=167,172
The DISTANCE action with label d_69_RU_H1'-69_RU_H5 calculates the following quantities: Quantity | Description |
d_69_RU_H1'-69_RU_H5.value | the DISTANCE between this pair of atoms |
signal_69_RU_H1'-69_RU_H5: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_69_RU_H1'-69_RU_H5 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_69_RU_H1'-69_RU_H5 calculates the following quantities: Quantity | Description |
signal_69_RU_H1'-69_RU_H5.value | an arbitrary function |
d_70_RG_H8-71_RG_H8: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=200,234
The DISTANCE action with label d_70_RG_H8-71_RG_H8 calculates the following quantities: Quantity | Description |
d_70_RG_H8-71_RG_H8.value | the DISTANCE between this pair of atoms |
signal_70_RG_H8-71_RG_H8: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_70_RG_H8-71_RG_H8 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_70_RG_H8-71_RG_H8 calculates the following quantities: Quantity | Description |
signal_70_RG_H8-71_RG_H8.value | an arbitrary function |
d_70_RG_H8-70_RG_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=200,197
The DISTANCE action with label d_70_RG_H8-70_RG_H1' calculates the following quantities: Quantity | Description |
d_70_RG_H8-70_RG_H1'.value | the DISTANCE between this pair of atoms |
signal_70_RG_H8-70_RG_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_70_RG_H8-70_RG_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_70_RG_H8-70_RG_H1' calculates the following quantities: Quantity | Description |
signal_70_RG_H8-70_RG_H1'.value | an arbitrary function |
d_70_RG_H8-69_RU_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=200,167
The DISTANCE action with label d_70_RG_H8-69_RU_H1' calculates the following quantities: Quantity | Description |
d_70_RG_H8-69_RU_H1'.value | the DISTANCE between this pair of atoms |
signal_70_RG_H8-69_RU_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_70_RG_H8-69_RU_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_70_RG_H8-69_RU_H1' calculates the following quantities: Quantity | Description |
signal_70_RG_H8-69_RU_H1'.value | an arbitrary function |
d_71_RG_H8-72_RU_H6: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=234,268
The DISTANCE action with label d_71_RG_H8-72_RU_H6 calculates the following quantities: Quantity | Description |
d_71_RG_H8-72_RU_H6.value | the DISTANCE between this pair of atoms |
signal_71_RG_H8-72_RU_H6: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_71_RG_H8-72_RU_H6 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_71_RG_H8-72_RU_H6 calculates the following quantities: Quantity | Description |
signal_71_RG_H8-72_RU_H6.value | an arbitrary function |
d_71_RG_H8-70_RG_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=234,197
The DISTANCE action with label d_71_RG_H8-70_RG_H1' calculates the following quantities: Quantity | Description |
d_71_RG_H8-70_RG_H1'.value | the DISTANCE between this pair of atoms |
signal_71_RG_H8-70_RG_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_71_RG_H8-70_RG_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_71_RG_H8-70_RG_H1' calculates the following quantities: Quantity | Description |
signal_71_RG_H8-70_RG_H1'.value | an arbitrary function |
d_71_RG_H8-71_RG_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=234,231
The DISTANCE action with label d_71_RG_H8-71_RG_H1' calculates the following quantities: Quantity | Description |
d_71_RG_H8-71_RG_H1'.value | the DISTANCE between this pair of atoms |
signal_71_RG_H8-71_RG_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_71_RG_H8-71_RG_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_71_RG_H8-71_RG_H1' calculates the following quantities: Quantity | Description |
signal_71_RG_H8-71_RG_H1'.value | an arbitrary function |
d_71_RG_H8-72_RU_H5: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=234,270
The DISTANCE action with label d_71_RG_H8-72_RU_H5 calculates the following quantities: Quantity | Description |
d_71_RG_H8-72_RU_H5.value | the DISTANCE between this pair of atoms |
signal_71_RG_H8-72_RU_H5: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_71_RG_H8-72_RU_H5 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_71_RG_H8-72_RU_H5 calculates the following quantities: Quantity | Description |
signal_71_RG_H8-72_RU_H5.value | an arbitrary function |
d_71_RG_H1'-72_RU_H5: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=231,270
The DISTANCE action with label d_71_RG_H1'-72_RU_H5 calculates the following quantities: Quantity | Description |
d_71_RG_H1'-72_RU_H5.value | the DISTANCE between this pair of atoms |
signal_71_RG_H1'-72_RU_H5: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_71_RG_H1'-72_RU_H5 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_71_RG_H1'-72_RU_H5 calculates the following quantities: Quantity | Description |
signal_71_RG_H1'-72_RU_H5.value | an arbitrary function |
d_72_RU_H6-72_RU_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=268,265
The DISTANCE action with label d_72_RU_H6-72_RU_H1' calculates the following quantities: Quantity | Description |
d_72_RU_H6-72_RU_H1'.value | the DISTANCE between this pair of atoms |
signal_72_RU_H6-72_RU_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_72_RU_H6-72_RU_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_72_RU_H6-72_RU_H1' calculates the following quantities: Quantity | Description |
signal_72_RU_H6-72_RU_H1'.value | an arbitrary function |
d_72_RU_H1'-72_RU_H5: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=265,270
The DISTANCE action with label d_72_RU_H1'-72_RU_H5 calculates the following quantities: Quantity | Description |
d_72_RU_H1'-72_RU_H5.value | the DISTANCE between this pair of atoms |
signal_72_RU_H1'-72_RU_H5: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_72_RU_H1'-72_RU_H5 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_72_RU_H1'-72_RU_H5 calculates the following quantities: Quantity | Description |
signal_72_RU_H1'-72_RU_H5.value | an arbitrary function |
d_73_RG_H8-72_RU_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=298,265
The DISTANCE action with label d_73_RG_H8-72_RU_H1' calculates the following quantities: Quantity | Description |
d_73_RG_H8-72_RU_H1'.value | the DISTANCE between this pair of atoms |
signal_73_RG_H8-72_RU_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_73_RG_H8-72_RU_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_73_RG_H8-72_RU_H1' calculates the following quantities: Quantity | Description |
signal_73_RG_H8-72_RU_H1'.value | an arbitrary function |
d_73_RG_H8-73_RG_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=298,295
The DISTANCE action with label d_73_RG_H8-73_RG_H1' calculates the following quantities: Quantity | Description |
d_73_RG_H8-73_RG_H1'.value | the DISTANCE between this pair of atoms |
signal_73_RG_H8-73_RG_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_73_RG_H8-73_RG_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_73_RG_H8-73_RG_H1' calculates the following quantities: Quantity | Description |
signal_73_RG_H8-73_RG_H1'.value | an arbitrary function |
d_73_RG_H8-72_RU_H5: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=298,270
The DISTANCE action with label d_73_RG_H8-72_RU_H5 calculates the following quantities: Quantity | Description |
d_73_RG_H8-72_RU_H5.value | the DISTANCE between this pair of atoms |
signal_73_RG_H8-72_RU_H5: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_73_RG_H8-72_RU_H5 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_73_RG_H8-72_RU_H5 calculates the following quantities: Quantity | Description |
signal_73_RG_H8-72_RU_H5.value | an arbitrary function |
d_74_RG_H8-73_RG_H8: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=332,298
The DISTANCE action with label d_74_RG_H8-73_RG_H8 calculates the following quantities: Quantity | Description |
d_74_RG_H8-73_RG_H8.value | the DISTANCE between this pair of atoms |
signal_74_RG_H8-73_RG_H8: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_74_RG_H8-73_RG_H8 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_74_RG_H8-73_RG_H8 calculates the following quantities: Quantity | Description |
signal_74_RG_H8-73_RG_H8.value | an arbitrary function |
d_74_RG_H8-75_RU_H6: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=332,366
The DISTANCE action with label d_74_RG_H8-75_RU_H6 calculates the following quantities: Quantity | Description |
d_74_RG_H8-75_RU_H6.value | the DISTANCE between this pair of atoms |
signal_74_RG_H8-75_RU_H6: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_74_RG_H8-75_RU_H6 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_74_RG_H8-75_RU_H6 calculates the following quantities: Quantity | Description |
signal_74_RG_H8-75_RU_H6.value | an arbitrary function |
d_74_RG_H8-73_RG_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=332,295
The DISTANCE action with label d_74_RG_H8-73_RG_H1' calculates the following quantities: Quantity | Description |
d_74_RG_H8-73_RG_H1'.value | the DISTANCE between this pair of atoms |
signal_74_RG_H8-73_RG_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_74_RG_H8-73_RG_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_74_RG_H8-73_RG_H1' calculates the following quantities: Quantity | Description |
signal_74_RG_H8-73_RG_H1'.value | an arbitrary function |
d_74_RG_H8-74_RG_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=332,329
The DISTANCE action with label d_74_RG_H8-74_RG_H1' calculates the following quantities: Quantity | Description |
d_74_RG_H8-74_RG_H1'.value | the DISTANCE between this pair of atoms |
signal_74_RG_H8-74_RG_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_74_RG_H8-74_RG_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_74_RG_H8-74_RG_H1' calculates the following quantities: Quantity | Description |
signal_74_RG_H8-74_RG_H1'.value | an arbitrary function |
d_74_RG_H8-75_RU_H5: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=332,368
The DISTANCE action with label d_74_RG_H8-75_RU_H5 calculates the following quantities: Quantity | Description |
d_74_RG_H8-75_RU_H5.value | the DISTANCE between this pair of atoms |
signal_74_RG_H8-75_RU_H5: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_74_RG_H8-75_RU_H5 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_74_RG_H8-75_RU_H5 calculates the following quantities: Quantity | Description |
signal_74_RG_H8-75_RU_H5.value | an arbitrary function |
d_74_RG_H1'-75_RU_H5: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=329,368
The DISTANCE action with label d_74_RG_H1'-75_RU_H5 calculates the following quantities: Quantity | Description |
d_74_RG_H1'-75_RU_H5.value | the DISTANCE between this pair of atoms |
signal_74_RG_H1'-75_RU_H5: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_74_RG_H1'-75_RU_H5 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_74_RG_H1'-75_RU_H5 calculates the following quantities: Quantity | Description |
signal_74_RG_H1'-75_RU_H5.value | an arbitrary function |
d_75_RU_H6-74_RG_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=366,329
The DISTANCE action with label d_75_RU_H6-74_RG_H1' calculates the following quantities: Quantity | Description |
d_75_RU_H6-74_RG_H1'.value | the DISTANCE between this pair of atoms |
signal_75_RU_H6-74_RG_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_75_RU_H6-74_RG_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_75_RU_H6-74_RG_H1' calculates the following quantities: Quantity | Description |
signal_75_RU_H6-74_RG_H1'.value | an arbitrary function |
d_75_RU_H6-75_RU_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=366,363
The DISTANCE action with label d_75_RU_H6-75_RU_H1' calculates the following quantities: Quantity | Description |
d_75_RU_H6-75_RU_H1'.value | the DISTANCE between this pair of atoms |
signal_75_RU_H6-75_RU_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_75_RU_H6-75_RU_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_75_RU_H6-75_RU_H1' calculates the following quantities: Quantity | Description |
signal_75_RU_H6-75_RU_H1'.value | an arbitrary function |
d_75_RU_H6-76_RU_H6: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=366,396
The DISTANCE action with label d_75_RU_H6-76_RU_H6 calculates the following quantities: Quantity | Description |
d_75_RU_H6-76_RU_H6.value | the DISTANCE between this pair of atoms |
signal_75_RU_H6-76_RU_H6: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_75_RU_H6-76_RU_H6 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_75_RU_H6-76_RU_H6 calculates the following quantities: Quantity | Description |
signal_75_RU_H6-76_RU_H6.value | an arbitrary function |
d_75_RU_H1'-75_RU_H5: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=363,368
The DISTANCE action with label d_75_RU_H1'-75_RU_H5 calculates the following quantities: Quantity | Description |
d_75_RU_H1'-75_RU_H5.value | the DISTANCE between this pair of atoms |
signal_75_RU_H1'-75_RU_H5: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_75_RU_H1'-75_RU_H5 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_75_RU_H1'-75_RU_H5 calculates the following quantities: Quantity | Description |
signal_75_RU_H1'-75_RU_H5.value | an arbitrary function |
d_75_RU_H5-76_RU_H5: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=368,398
The DISTANCE action with label d_75_RU_H5-76_RU_H5 calculates the following quantities: Quantity | Description |
d_75_RU_H5-76_RU_H5.value | the DISTANCE between this pair of atoms |
signal_75_RU_H5-76_RU_H5: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_75_RU_H5-76_RU_H5 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_75_RU_H5-76_RU_H5 calculates the following quantities: Quantity | Description |
signal_75_RU_H5-76_RU_H5.value | an arbitrary function |
d_76_RU_H6-76_RU_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=396,393
The DISTANCE action with label d_76_RU_H6-76_RU_H1' calculates the following quantities: Quantity | Description |
d_76_RU_H6-76_RU_H1'.value | the DISTANCE between this pair of atoms |
signal_76_RU_H6-76_RU_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_76_RU_H6-76_RU_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_76_RU_H6-76_RU_H1' calculates the following quantities: Quantity | Description |
signal_76_RU_H6-76_RU_H1'.value | an arbitrary function |
d_76_RU_H6-75_RU_H5: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=396,368
The DISTANCE action with label d_76_RU_H6-75_RU_H5 calculates the following quantities: Quantity | Description |
d_76_RU_H6-75_RU_H5.value | the DISTANCE between this pair of atoms |
signal_76_RU_H6-75_RU_H5: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_76_RU_H6-75_RU_H5 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_76_RU_H6-75_RU_H5 calculates the following quantities: Quantity | Description |
signal_76_RU_H6-75_RU_H5.value | an arbitrary function |
d_77_RG_H8-76_RU_H6: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=426,396
The DISTANCE action with label d_77_RG_H8-76_RU_H6 calculates the following quantities: Quantity | Description |
d_77_RG_H8-76_RU_H6.value | the DISTANCE between this pair of atoms |
signal_77_RG_H8-76_RU_H6: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_77_RG_H8-76_RU_H6 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_77_RG_H8-76_RU_H6 calculates the following quantities: Quantity | Description |
signal_77_RG_H8-76_RU_H6.value | an arbitrary function |
d_77_RG_H8-78_RU_H6: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=426,460
The DISTANCE action with label d_77_RG_H8-78_RU_H6 calculates the following quantities: Quantity | Description |
d_77_RG_H8-78_RU_H6.value | the DISTANCE between this pair of atoms |
signal_77_RG_H8-78_RU_H6: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_77_RG_H8-78_RU_H6 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_77_RG_H8-78_RU_H6 calculates the following quantities: Quantity | Description |
signal_77_RG_H8-78_RU_H6.value | an arbitrary function |
d_77_RG_H8-77_RG_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=426,423
The DISTANCE action with label d_77_RG_H8-77_RG_H1' calculates the following quantities: Quantity | Description |
d_77_RG_H8-77_RG_H1'.value | the DISTANCE between this pair of atoms |
signal_77_RG_H8-77_RG_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_77_RG_H8-77_RG_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_77_RG_H8-77_RG_H1' calculates the following quantities: Quantity | Description |
signal_77_RG_H8-77_RG_H1'.value | an arbitrary function |
d_77_RG_H8-76_RU_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=426,393
The DISTANCE action with label d_77_RG_H8-76_RU_H1' calculates the following quantities: Quantity | Description |
d_77_RG_H8-76_RU_H1'.value | the DISTANCE between this pair of atoms |
signal_77_RG_H8-76_RU_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_77_RG_H8-76_RU_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_77_RG_H8-76_RU_H1' calculates the following quantities: Quantity | Description |
signal_77_RG_H8-76_RU_H1'.value | an arbitrary function |
d_77_RG_H8-76_RU_H5: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=426,398
The DISTANCE action with label d_77_RG_H8-76_RU_H5 calculates the following quantities: Quantity | Description |
d_77_RG_H8-76_RU_H5.value | the DISTANCE between this pair of atoms |
signal_77_RG_H8-76_RU_H5: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_77_RG_H8-76_RU_H5 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_77_RG_H8-76_RU_H5 calculates the following quantities: Quantity | Description |
signal_77_RG_H8-76_RU_H5.value | an arbitrary function |
d_78_RU_H6-78_RU_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=460,457
The DISTANCE action with label d_78_RU_H6-78_RU_H1' calculates the following quantities: Quantity | Description |
d_78_RU_H6-78_RU_H1'.value | the DISTANCE between this pair of atoms |
signal_78_RU_H6-78_RU_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_78_RU_H6-78_RU_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_78_RU_H6-78_RU_H1' calculates the following quantities: Quantity | Description |
signal_78_RU_H6-78_RU_H1'.value | an arbitrary function |
d_78_RU_H6-79_RG_H8: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=460,490
The DISTANCE action with label d_78_RU_H6-79_RG_H8 calculates the following quantities: Quantity | Description |
d_78_RU_H6-79_RG_H8.value | the DISTANCE between this pair of atoms |
signal_78_RU_H6-79_RG_H8: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_78_RU_H6-79_RG_H8 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_78_RU_H6-79_RG_H8 calculates the following quantities: Quantity | Description |
signal_78_RU_H6-79_RG_H8.value | an arbitrary function |
d_79_RG_H8-78_RU_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=490,457
The DISTANCE action with label d_79_RG_H8-78_RU_H1' calculates the following quantities: Quantity | Description |
d_79_RG_H8-78_RU_H1'.value | the DISTANCE between this pair of atoms |
signal_79_RG_H8-78_RU_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_79_RG_H8-78_RU_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_79_RG_H8-78_RU_H1' calculates the following quantities: Quantity | Description |
signal_79_RG_H8-78_RU_H1'.value | an arbitrary function |
d_79_RG_H8-79_RG_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=490,487
The DISTANCE action with label d_79_RG_H8-79_RG_H1' calculates the following quantities: Quantity | Description |
d_79_RG_H8-79_RG_H1'.value | the DISTANCE between this pair of atoms |
signal_79_RG_H8-79_RG_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_79_RG_H8-79_RG_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_79_RG_H8-79_RG_H1' calculates the following quantities: Quantity | Description |
signal_79_RG_H8-79_RG_H1'.value | an arbitrary function |
d_79_RG_H8-77_RG_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=490,423
The DISTANCE action with label d_79_RG_H8-77_RG_H1' calculates the following quantities: Quantity | Description |
d_79_RG_H8-77_RG_H1'.value | the DISTANCE between this pair of atoms |
signal_79_RG_H8-77_RG_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_79_RG_H8-77_RG_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_79_RG_H8-77_RG_H1' calculates the following quantities: Quantity | Description |
signal_79_RG_H8-77_RG_H1'.value | an arbitrary function |
d_80_RA_H8-79_RG_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=524,487
The DISTANCE action with label d_80_RA_H8-79_RG_H1' calculates the following quantities: Quantity | Description |
d_80_RA_H8-79_RG_H1'.value | the DISTANCE between this pair of atoms |
signal_80_RA_H8-79_RG_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_80_RA_H8-79_RG_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_80_RA_H8-79_RG_H1' calculates the following quantities: Quantity | Description |
signal_80_RA_H8-79_RG_H1'.value | an arbitrary function |
d_80_RA_H8-80_RA_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=524,521
The DISTANCE action with label d_80_RA_H8-80_RA_H1' calculates the following quantities: Quantity | Description |
d_80_RA_H8-80_RA_H1'.value | the DISTANCE between this pair of atoms |
signal_80_RA_H8-80_RA_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_80_RA_H8-80_RA_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_80_RA_H8-80_RA_H1' calculates the following quantities: Quantity | Description |
signal_80_RA_H8-80_RA_H1'.value | an arbitrary function |
d_80_RA_H8-79_RG_H8: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=524,490
The DISTANCE action with label d_80_RA_H8-79_RG_H8 calculates the following quantities: Quantity | Description |
d_80_RA_H8-79_RG_H8.value | the DISTANCE between this pair of atoms |
signal_80_RA_H8-79_RG_H8: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_80_RA_H8-79_RG_H8 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_80_RA_H8-79_RG_H8 calculates the following quantities: Quantity | Description |
signal_80_RA_H8-79_RG_H8.value | an arbitrary function |
d_80_RA_H8-81_RA_H8: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=524,557
The DISTANCE action with label d_80_RA_H8-81_RA_H8 calculates the following quantities: Quantity | Description |
d_80_RA_H8-81_RA_H8.value | the DISTANCE between this pair of atoms |
signal_80_RA_H8-81_RA_H8: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_80_RA_H8-81_RA_H8 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_80_RA_H8-81_RA_H8 calculates the following quantities: Quantity | Description |
signal_80_RA_H8-81_RA_H8.value | an arbitrary function |
d_80_RA_H2-77_RG_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=533,423
The DISTANCE action with label d_80_RA_H2-77_RG_H1' calculates the following quantities: Quantity | Description |
d_80_RA_H2-77_RG_H1'.value | the DISTANCE between this pair of atoms |
signal_80_RA_H2-77_RG_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_80_RA_H2-77_RG_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_80_RA_H2-77_RG_H1' calculates the following quantities: Quantity | Description |
signal_80_RA_H2-77_RG_H1'.value | an arbitrary function |
d_80_RA_H2-79_RG_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=533,487
The DISTANCE action with label d_80_RA_H2-79_RG_H1' calculates the following quantities: Quantity | Description |
d_80_RA_H2-79_RG_H1'.value | the DISTANCE between this pair of atoms |
signal_80_RA_H2-79_RG_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_80_RA_H2-79_RG_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_80_RA_H2-79_RG_H1' calculates the following quantities: Quantity | Description |
signal_80_RA_H2-79_RG_H1'.value | an arbitrary function |
d_80_RA_H2-81_RA_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=533,554
The DISTANCE action with label d_80_RA_H2-81_RA_H1' calculates the following quantities: Quantity | Description |
d_80_RA_H2-81_RA_H1'.value | the DISTANCE between this pair of atoms |
signal_80_RA_H2-81_RA_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_80_RA_H2-81_RA_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_80_RA_H2-81_RA_H1' calculates the following quantities: Quantity | Description |
signal_80_RA_H2-81_RA_H1'.value | an arbitrary function |
d_80_RA_H2-79_RG_H8: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=533,490
The DISTANCE action with label d_80_RA_H2-79_RG_H8 calculates the following quantities: Quantity | Description |
d_80_RA_H2-79_RG_H8.value | the DISTANCE between this pair of atoms |
signal_80_RA_H2-79_RG_H8: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_80_RA_H2-79_RG_H8 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_80_RA_H2-79_RG_H8 calculates the following quantities: Quantity | Description |
signal_80_RA_H2-79_RG_H8.value | an arbitrary function |
d_80_RA_H2-81_RA_H8: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=533,557
The DISTANCE action with label d_80_RA_H2-81_RA_H8 calculates the following quantities: Quantity | Description |
d_80_RA_H2-81_RA_H8.value | the DISTANCE between this pair of atoms |
signal_80_RA_H2-81_RA_H8: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_80_RA_H2-81_RA_H8 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_80_RA_H2-81_RA_H8 calculates the following quantities: Quantity | Description |
signal_80_RA_H2-81_RA_H8.value | an arbitrary function |
d_80_RA_H2-81_RA_H2: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=533,566
The DISTANCE action with label d_80_RA_H2-81_RA_H2 calculates the following quantities: Quantity | Description |
d_80_RA_H2-81_RA_H2.value | the DISTANCE between this pair of atoms |
signal_80_RA_H2-81_RA_H2: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_80_RA_H2-81_RA_H2 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_80_RA_H2-81_RA_H2 calculates the following quantities: Quantity | Description |
signal_80_RA_H2-81_RA_H2.value | an arbitrary function |
d_81_RA_H8-82_RC_H6: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=557,590
The DISTANCE action with label d_81_RA_H8-82_RC_H6 calculates the following quantities: Quantity | Description |
d_81_RA_H8-82_RC_H6.value | the DISTANCE between this pair of atoms |
signal_81_RA_H8-82_RC_H6: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_81_RA_H8-82_RC_H6 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_81_RA_H8-82_RC_H6 calculates the following quantities: Quantity | Description |
signal_81_RA_H8-82_RC_H6.value | an arbitrary function |
d_81_RA_H8-80_RA_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=557,521
The DISTANCE action with label d_81_RA_H8-80_RA_H1' calculates the following quantities: Quantity | Description |
d_81_RA_H8-80_RA_H1'.value | the DISTANCE between this pair of atoms |
signal_81_RA_H8-80_RA_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_81_RA_H8-80_RA_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_81_RA_H8-80_RA_H1' calculates the following quantities: Quantity | Description |
signal_81_RA_H8-80_RA_H1'.value | an arbitrary function |
d_81_RA_H8-81_RA_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=557,554
The DISTANCE action with label d_81_RA_H8-81_RA_H1' calculates the following quantities: Quantity | Description |
d_81_RA_H8-81_RA_H1'.value | the DISTANCE between this pair of atoms |
signal_81_RA_H8-81_RA_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_81_RA_H8-81_RA_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_81_RA_H8-81_RA_H1' calculates the following quantities: Quantity | Description |
signal_81_RA_H8-81_RA_H1'.value | an arbitrary function |
d_81_RA_H8-82_RC_H5: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=557,592
The DISTANCE action with label d_81_RA_H8-82_RC_H5 calculates the following quantities: Quantity | Description |
d_81_RA_H8-82_RC_H5.value | the DISTANCE between this pair of atoms |
signal_81_RA_H8-82_RC_H5: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_81_RA_H8-82_RC_H5 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_81_RA_H8-82_RC_H5 calculates the following quantities: Quantity | Description |
signal_81_RA_H8-82_RC_H5.value | an arbitrary function |
d_81_RA_H2-81_RA_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=566,554
The DISTANCE action with label d_81_RA_H2-81_RA_H1' calculates the following quantities: Quantity | Description |
d_81_RA_H2-81_RA_H1'.value | the DISTANCE between this pair of atoms |
signal_81_RA_H2-81_RA_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_81_RA_H2-81_RA_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_81_RA_H2-81_RA_H1' calculates the following quantities: Quantity | Description |
signal_81_RA_H2-81_RA_H1'.value | an arbitrary function |
d_81_RA_H2-76_RU_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=566,393
The DISTANCE action with label d_81_RA_H2-76_RU_H1' calculates the following quantities: Quantity | Description |
d_81_RA_H2-76_RU_H1'.value | the DISTANCE between this pair of atoms |
signal_81_RA_H2-76_RU_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_81_RA_H2-76_RU_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_81_RA_H2-76_RU_H1' calculates the following quantities: Quantity | Description |
signal_81_RA_H2-76_RU_H1'.value | an arbitrary function |
d_81_RA_H2-82_RC_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=566,587
The DISTANCE action with label d_81_RA_H2-82_RC_H1' calculates the following quantities: Quantity | Description |
d_81_RA_H2-82_RC_H1'.value | the DISTANCE between this pair of atoms |
signal_81_RA_H2-82_RC_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_81_RA_H2-82_RC_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_81_RA_H2-82_RC_H1' calculates the following quantities: Quantity | Description |
signal_81_RA_H2-82_RC_H1'.value | an arbitrary function |
d_81_RA_H1'-80_RA_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=554,521
The DISTANCE action with label d_81_RA_H1'-80_RA_H1' calculates the following quantities: Quantity | Description |
d_81_RA_H1'-80_RA_H1'.value | the DISTANCE between this pair of atoms |
signal_81_RA_H1'-80_RA_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_81_RA_H1'-80_RA_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_81_RA_H1'-80_RA_H1' calculates the following quantities: Quantity | Description |
signal_81_RA_H1'-80_RA_H1'.value | an arbitrary function |
d_81_RA_H1'-82_RC_H5: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=554,592
The DISTANCE action with label d_81_RA_H1'-82_RC_H5 calculates the following quantities: Quantity | Description |
d_81_RA_H1'-82_RC_H5.value | the DISTANCE between this pair of atoms |
signal_81_RA_H1'-82_RC_H5: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_81_RA_H1'-82_RC_H5 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_81_RA_H1'-82_RC_H5 calculates the following quantities: Quantity | Description |
signal_81_RA_H1'-82_RC_H5.value | an arbitrary function |
d_82_RC_H6-83_RC_H6: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=590,621
The DISTANCE action with label d_82_RC_H6-83_RC_H6 calculates the following quantities: Quantity | Description |
d_82_RC_H6-83_RC_H6.value | the DISTANCE between this pair of atoms |
signal_82_RC_H6-83_RC_H6: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_82_RC_H6-83_RC_H6 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_82_RC_H6-83_RC_H6 calculates the following quantities: Quantity | Description |
signal_82_RC_H6-83_RC_H6.value | an arbitrary function |
d_82_RC_H6-81_RA_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=590,554
The DISTANCE action with label d_82_RC_H6-81_RA_H1' calculates the following quantities: Quantity | Description |
d_82_RC_H6-81_RA_H1'.value | the DISTANCE between this pair of atoms |
signal_82_RC_H6-81_RA_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_82_RC_H6-81_RA_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_82_RC_H6-81_RA_H1' calculates the following quantities: Quantity | Description |
signal_82_RC_H6-81_RA_H1'.value | an arbitrary function |
d_82_RC_H6-82_RC_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=590,587
The DISTANCE action with label d_82_RC_H6-82_RC_H1' calculates the following quantities: Quantity | Description |
d_82_RC_H6-82_RC_H1'.value | the DISTANCE between this pair of atoms |
signal_82_RC_H6-82_RC_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_82_RC_H6-82_RC_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_82_RC_H6-82_RC_H1' calculates the following quantities: Quantity | Description |
signal_82_RC_H6-82_RC_H1'.value | an arbitrary function |
d_82_RC_H1'-82_RC_H5: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=587,592
The DISTANCE action with label d_82_RC_H1'-82_RC_H5 calculates the following quantities: Quantity | Description |
d_82_RC_H1'-82_RC_H5.value | the DISTANCE between this pair of atoms |
signal_82_RC_H1'-82_RC_H5: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_82_RC_H1'-82_RC_H5 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_82_RC_H1'-82_RC_H5 calculates the following quantities: Quantity | Description |
signal_82_RC_H1'-82_RC_H5.value | an arbitrary function |
d_82_RC_H5-83_RC_H5: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=592,623
The DISTANCE action with label d_82_RC_H5-83_RC_H5 calculates the following quantities: Quantity | Description |
d_82_RC_H5-83_RC_H5.value | the DISTANCE between this pair of atoms |
signal_82_RC_H5-83_RC_H5: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_82_RC_H5-83_RC_H5 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_82_RC_H5-83_RC_H5 calculates the following quantities: Quantity | Description |
signal_82_RC_H5-83_RC_H5.value | an arbitrary function |
d_83_RC_H6-82_RC_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=621,587
The DISTANCE action with label d_83_RC_H6-82_RC_H1' calculates the following quantities: Quantity | Description |
d_83_RC_H6-82_RC_H1'.value | the DISTANCE between this pair of atoms |
signal_83_RC_H6-82_RC_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_83_RC_H6-82_RC_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_83_RC_H6-82_RC_H1' calculates the following quantities: Quantity | Description |
signal_83_RC_H6-82_RC_H1'.value | an arbitrary function |
d_83_RC_H6-83_RC_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=621,618
The DISTANCE action with label d_83_RC_H6-83_RC_H1' calculates the following quantities: Quantity | Description |
d_83_RC_H6-83_RC_H1'.value | the DISTANCE between this pair of atoms |
signal_83_RC_H6-83_RC_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_83_RC_H6-83_RC_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_83_RC_H6-83_RC_H1' calculates the following quantities: Quantity | Description |
signal_83_RC_H6-83_RC_H1'.value | an arbitrary function |
d_84_RA_H8-83_RC_H6: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=652,621
The DISTANCE action with label d_84_RA_H8-83_RC_H6 calculates the following quantities: Quantity | Description |
d_84_RA_H8-83_RC_H6.value | the DISTANCE between this pair of atoms |
signal_84_RA_H8-83_RC_H6: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_84_RA_H8-83_RC_H6 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_84_RA_H8-83_RC_H6 calculates the following quantities: Quantity | Description |
signal_84_RA_H8-83_RC_H6.value | an arbitrary function |
d_84_RA_H8-85_RC_H6: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=652,685
The DISTANCE action with label d_84_RA_H8-85_RC_H6 calculates the following quantities: Quantity | Description |
d_84_RA_H8-85_RC_H6.value | the DISTANCE between this pair of atoms |
signal_84_RA_H8-85_RC_H6: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_84_RA_H8-85_RC_H6 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_84_RA_H8-85_RC_H6 calculates the following quantities: Quantity | Description |
signal_84_RA_H8-85_RC_H6.value | an arbitrary function |
d_84_RA_H8-83_RC_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=652,618
The DISTANCE action with label d_84_RA_H8-83_RC_H1' calculates the following quantities: Quantity | Description |
d_84_RA_H8-83_RC_H1'.value | the DISTANCE between this pair of atoms |
signal_84_RA_H8-83_RC_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_84_RA_H8-83_RC_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_84_RA_H8-83_RC_H1' calculates the following quantities: Quantity | Description |
signal_84_RA_H8-83_RC_H1'.value | an arbitrary function |
d_84_RA_H8-84_RA_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=652,649
The DISTANCE action with label d_84_RA_H8-84_RA_H1' calculates the following quantities: Quantity | Description |
d_84_RA_H8-84_RA_H1'.value | the DISTANCE between this pair of atoms |
signal_84_RA_H8-84_RA_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_84_RA_H8-84_RA_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_84_RA_H8-84_RA_H1' calculates the following quantities: Quantity | Description |
signal_84_RA_H8-84_RA_H1'.value | an arbitrary function |
d_84_RA_H8-83_RC_H5: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=652,623
The DISTANCE action with label d_84_RA_H8-83_RC_H5 calculates the following quantities: Quantity | Description |
d_84_RA_H8-83_RC_H5.value | the DISTANCE between this pair of atoms |
signal_84_RA_H8-83_RC_H5: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_84_RA_H8-83_RC_H5 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_84_RA_H8-83_RC_H5 calculates the following quantities: Quantity | Description |
signal_84_RA_H8-83_RC_H5.value | an arbitrary function |
d_84_RA_H8-85_RC_H5: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=652,687
The DISTANCE action with label d_84_RA_H8-85_RC_H5 calculates the following quantities: Quantity | Description |
d_84_RA_H8-85_RC_H5.value | the DISTANCE between this pair of atoms |
signal_84_RA_H8-85_RC_H5: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_84_RA_H8-85_RC_H5 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_84_RA_H8-85_RC_H5 calculates the following quantities: Quantity | Description |
signal_84_RA_H8-85_RC_H5.value | an arbitrary function |
d_84_RA_H2-84_RA_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=661,649
The DISTANCE action with label d_84_RA_H2-84_RA_H1' calculates the following quantities: Quantity | Description |
d_84_RA_H2-84_RA_H1'.value | the DISTANCE between this pair of atoms |
signal_84_RA_H2-84_RA_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_84_RA_H2-84_RA_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_84_RA_H2-84_RA_H1' calculates the following quantities: Quantity | Description |
signal_84_RA_H2-84_RA_H1'.value | an arbitrary function |
d_84_RA_H2-73_RG_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=661,295
The DISTANCE action with label d_84_RA_H2-73_RG_H1' calculates the following quantities: Quantity | Description |
d_84_RA_H2-73_RG_H1'.value | the DISTANCE between this pair of atoms |
signal_84_RA_H2-73_RG_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_84_RA_H2-73_RG_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_84_RA_H2-73_RG_H1' calculates the following quantities: Quantity | Description |
signal_84_RA_H2-73_RG_H1'.value | an arbitrary function |
d_84_RA_H2-85_RC_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=661,682
The DISTANCE action with label d_84_RA_H2-85_RC_H1' calculates the following quantities: Quantity | Description |
d_84_RA_H2-85_RC_H1'.value | the DISTANCE between this pair of atoms |
signal_84_RA_H2-85_RC_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_84_RA_H2-85_RC_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_84_RA_H2-85_RC_H1' calculates the following quantities: Quantity | Description |
signal_84_RA_H2-85_RC_H1'.value | an arbitrary function |
d_84_RA_H1'-85_RC_H5: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=649,687
The DISTANCE action with label d_84_RA_H1'-85_RC_H5 calculates the following quantities: Quantity | Description |
d_84_RA_H1'-85_RC_H5.value | the DISTANCE between this pair of atoms |
signal_84_RA_H1'-85_RC_H5: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_84_RA_H1'-85_RC_H5 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_84_RA_H1'-85_RC_H5 calculates the following quantities: Quantity | Description |
signal_84_RA_H1'-85_RC_H5.value | an arbitrary function |
d_85_RC_H6-84_RA_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=685,649
The DISTANCE action with label d_85_RC_H6-84_RA_H1' calculates the following quantities: Quantity | Description |
d_85_RC_H6-84_RA_H1'.value | the DISTANCE between this pair of atoms |
signal_85_RC_H6-84_RA_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_85_RC_H6-84_RA_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_85_RC_H6-84_RA_H1' calculates the following quantities: Quantity | Description |
signal_85_RC_H6-84_RA_H1'.value | an arbitrary function |
d_85_RC_H6-85_RC_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=685,682
The DISTANCE action with label d_85_RC_H6-85_RC_H1' calculates the following quantities: Quantity | Description |
d_85_RC_H6-85_RC_H1'.value | the DISTANCE between this pair of atoms |
signal_85_RC_H6-85_RC_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_85_RC_H6-85_RC_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_85_RC_H6-85_RC_H1' calculates the following quantities: Quantity | Description |
signal_85_RC_H6-85_RC_H1'.value | an arbitrary function |
d_85_RC_H1'-85_RC_H5: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=682,687
The DISTANCE action with label d_85_RC_H1'-85_RC_H5 calculates the following quantities: Quantity | Description |
d_85_RC_H1'-85_RC_H5.value | the DISTANCE between this pair of atoms |
signal_85_RC_H1'-85_RC_H5: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_85_RC_H1'-85_RC_H5 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_85_RC_H1'-85_RC_H5 calculates the following quantities: Quantity | Description |
signal_85_RC_H1'-85_RC_H5.value | an arbitrary function |
d_85_RC_H5-86_RC_H5: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=687,718
The DISTANCE action with label d_85_RC_H5-86_RC_H5 calculates the following quantities: Quantity | Description |
d_85_RC_H5-86_RC_H5.value | the DISTANCE between this pair of atoms |
signal_85_RC_H5-86_RC_H5: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_85_RC_H5-86_RC_H5 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_85_RC_H5-86_RC_H5 calculates the following quantities: Quantity | Description |
signal_85_RC_H5-86_RC_H5.value | an arbitrary function |
d_86_RC_H6-86_RC_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=716,713
The DISTANCE action with label d_86_RC_H6-86_RC_H1' calculates the following quantities: Quantity | Description |
d_86_RC_H6-86_RC_H1'.value | the DISTANCE between this pair of atoms |
signal_86_RC_H6-86_RC_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_86_RC_H6-86_RC_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_86_RC_H6-86_RC_H1' calculates the following quantities: Quantity | Description |
signal_86_RC_H6-86_RC_H1'.value | an arbitrary function |
d_87_RA_H8-86_RC_H6: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=747,716
The DISTANCE action with label d_87_RA_H8-86_RC_H6 calculates the following quantities: Quantity | Description |
d_87_RA_H8-86_RC_H6.value | the DISTANCE between this pair of atoms |
signal_87_RA_H8-86_RC_H6: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_87_RA_H8-86_RC_H6 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_87_RA_H8-86_RC_H6 calculates the following quantities: Quantity | Description |
signal_87_RA_H8-86_RC_H6.value | an arbitrary function |
d_87_RA_H8-88_RU_H6: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=747,780
The DISTANCE action with label d_87_RA_H8-88_RU_H6 calculates the following quantities: Quantity | Description |
d_87_RA_H8-88_RU_H6.value | the DISTANCE between this pair of atoms |
signal_87_RA_H8-88_RU_H6: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_87_RA_H8-88_RU_H6 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_87_RA_H8-88_RU_H6 calculates the following quantities: Quantity | Description |
signal_87_RA_H8-88_RU_H6.value | an arbitrary function |
d_87_RA_H8-86_RC_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=747,713
The DISTANCE action with label d_87_RA_H8-86_RC_H1' calculates the following quantities: Quantity | Description |
d_87_RA_H8-86_RC_H1'.value | the DISTANCE between this pair of atoms |
signal_87_RA_H8-86_RC_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_87_RA_H8-86_RC_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_87_RA_H8-86_RC_H1' calculates the following quantities: Quantity | Description |
signal_87_RA_H8-86_RC_H1'.value | an arbitrary function |
d_87_RA_H8-87_RA_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=747,744
The DISTANCE action with label d_87_RA_H8-87_RA_H1' calculates the following quantities: Quantity | Description |
d_87_RA_H8-87_RA_H1'.value | the DISTANCE between this pair of atoms |
signal_87_RA_H8-87_RA_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_87_RA_H8-87_RA_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_87_RA_H8-87_RA_H1' calculates the following quantities: Quantity | Description |
signal_87_RA_H8-87_RA_H1'.value | an arbitrary function |
d_87_RA_H8-88_RU_H5: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=747,782
The DISTANCE action with label d_87_RA_H8-88_RU_H5 calculates the following quantities: Quantity | Description |
d_87_RA_H8-88_RU_H5.value | the DISTANCE between this pair of atoms |
signal_87_RA_H8-88_RU_H5: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_87_RA_H8-88_RU_H5 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_87_RA_H8-88_RU_H5 calculates the following quantities: Quantity | Description |
signal_87_RA_H8-88_RU_H5.value | an arbitrary function |
d_87_RA_H2-87_RA_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=756,744
The DISTANCE action with label d_87_RA_H2-87_RA_H1' calculates the following quantities: Quantity | Description |
d_87_RA_H2-87_RA_H1'.value | the DISTANCE between this pair of atoms |
signal_87_RA_H2-87_RA_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_87_RA_H2-87_RA_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_87_RA_H2-87_RA_H1' calculates the following quantities: Quantity | Description |
signal_87_RA_H2-87_RA_H1'.value | an arbitrary function |
d_87_RA_H2-70_RG_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=756,197
The DISTANCE action with label d_87_RA_H2-70_RG_H1' calculates the following quantities: Quantity | Description |
d_87_RA_H2-70_RG_H1'.value | the DISTANCE between this pair of atoms |
signal_87_RA_H2-70_RG_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_87_RA_H2-70_RG_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_87_RA_H2-70_RG_H1' calculates the following quantities: Quantity | Description |
signal_87_RA_H2-70_RG_H1'.value | an arbitrary function |
d_87_RA_H2-88_RU_H5: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=756,782
The DISTANCE action with label d_87_RA_H2-88_RU_H5 calculates the following quantities: Quantity | Description |
d_87_RA_H2-88_RU_H5.value | the DISTANCE between this pair of atoms |
signal_87_RA_H2-88_RU_H5: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_87_RA_H2-88_RU_H5 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_87_RA_H2-88_RU_H5 calculates the following quantities: Quantity | Description |
signal_87_RA_H2-88_RU_H5.value | an arbitrary function |
d_87_RA_H1'-88_RU_H5: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=744,782
The DISTANCE action with label d_87_RA_H1'-88_RU_H5 calculates the following quantities: Quantity | Description |
d_87_RA_H1'-88_RU_H5.value | the DISTANCE between this pair of atoms |
signal_87_RA_H1'-88_RU_H5: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_87_RA_H1'-88_RU_H5 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_87_RA_H1'-88_RU_H5 calculates the following quantities: Quantity | Description |
signal_87_RA_H1'-88_RU_H5.value | an arbitrary function |
d_88_RU_H6-87_RA_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=780,744
The DISTANCE action with label d_88_RU_H6-87_RA_H1' calculates the following quantities: Quantity | Description |
d_88_RU_H6-87_RA_H1'.value | the DISTANCE between this pair of atoms |
signal_88_RU_H6-87_RA_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_88_RU_H6-87_RA_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_88_RU_H6-87_RA_H1' calculates the following quantities: Quantity | Description |
signal_88_RU_H6-87_RA_H1'.value | an arbitrary function |
d_89_RG_H8-88_RU_H6: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=810,780
The DISTANCE action with label d_89_RG_H8-88_RU_H6 calculates the following quantities: Quantity | Description |
d_89_RG_H8-88_RU_H6.value | the DISTANCE between this pair of atoms |
signal_89_RG_H8-88_RU_H6: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_89_RG_H8-88_RU_H6 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_89_RG_H8-88_RU_H6 calculates the following quantities: Quantity | Description |
signal_89_RG_H8-88_RU_H6.value | an arbitrary function |
d_89_RG_H8-88_RU_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=810,777
The DISTANCE action with label d_89_RG_H8-88_RU_H1' calculates the following quantities: Quantity | Description |
d_89_RG_H8-88_RU_H1'.value | the DISTANCE between this pair of atoms |
signal_89_RG_H8-88_RU_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_89_RG_H8-88_RU_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_89_RG_H8-88_RU_H1' calculates the following quantities: Quantity | Description |
signal_89_RG_H8-88_RU_H1'.value | an arbitrary function |
d_89_RG_H8-89_RG_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=810,807
The DISTANCE action with label d_89_RG_H8-89_RG_H1' calculates the following quantities: Quantity | Description |
d_89_RG_H8-89_RG_H1'.value | the DISTANCE between this pair of atoms |
signal_89_RG_H8-89_RG_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_89_RG_H8-89_RG_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_89_RG_H8-89_RG_H1' calculates the following quantities: Quantity | Description |
signal_89_RG_H8-89_RG_H1'.value | an arbitrary function |
d_90_RU_H6-89_RG_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=844,807
The DISTANCE action with label d_90_RU_H6-89_RG_H1' calculates the following quantities: Quantity | Description |
d_90_RU_H6-89_RG_H1'.value | the DISTANCE between this pair of atoms |
signal_90_RU_H6-89_RG_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_90_RU_H6-89_RG_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_90_RU_H6-89_RG_H1' calculates the following quantities: Quantity | Description |
signal_90_RU_H6-89_RG_H1'.value | an arbitrary function |
d_90_RU_H6-89_RG_H8: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=844,810
The DISTANCE action with label d_90_RU_H6-89_RG_H8 calculates the following quantities: Quantity | Description |
d_90_RU_H6-89_RG_H8.value | the DISTANCE between this pair of atoms |
signal_90_RU_H6-89_RG_H8: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_90_RU_H6-89_RG_H8 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_90_RU_H6-89_RG_H8 calculates the following quantities: Quantity | Description |
signal_90_RU_H6-89_RG_H8.value | an arbitrary function |
d_90_RU_H6-91_RG_H8: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=844,874
The DISTANCE action with label d_90_RU_H6-91_RG_H8 calculates the following quantities: Quantity | Description |
d_90_RU_H6-91_RG_H8.value | the DISTANCE between this pair of atoms |
signal_90_RU_H6-91_RG_H8: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_90_RU_H6-91_RG_H8 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_90_RU_H6-91_RG_H8 calculates the following quantities: Quantity | Description |
signal_90_RU_H6-91_RG_H8.value | an arbitrary function |
d_91_RG_H8-91_RG_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=874,871
The DISTANCE action with label d_91_RG_H8-91_RG_H1' calculates the following quantities: Quantity | Description |
d_91_RG_H8-91_RG_H1'.value | the DISTANCE between this pair of atoms |
signal_91_RG_H8-91_RG_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_91_RG_H8-91_RG_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_91_RG_H8-91_RG_H1' calculates the following quantities: Quantity | Description |
signal_91_RG_H8-91_RG_H1'.value | an arbitrary function |
d_92_RG3_H8-91_RG_H8: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=908,874
The DISTANCE action with label d_92_RG3_H8-91_RG_H8 calculates the following quantities: Quantity | Description |
d_92_RG3_H8-91_RG_H8.value | the DISTANCE between this pair of atoms |
signal_92_RG3_H8-91_RG_H8: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_92_RG3_H8-91_RG_H8 FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_92_RG3_H8-91_RG_H8 calculates the following quantities: Quantity | Description |
signal_92_RG3_H8-91_RG_H8.value | an arbitrary function |
d_92_RG3_H8-91_RG_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=908,871
The DISTANCE action with label d_92_RG3_H8-91_RG_H1' calculates the following quantities: Quantity | Description |
d_92_RG3_H8-91_RG_H1'.value | the DISTANCE between this pair of atoms |
signal_92_RG3_H8-91_RG_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_92_RG3_H8-91_RG_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_92_RG3_H8-91_RG_H1' calculates the following quantities: Quantity | Description |
signal_92_RG3_H8-91_RG_H1'.value | an arbitrary function |
d_92_RG3_H8-92_RG3_H1': DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=908,905
The DISTANCE action with label d_92_RG3_H8-92_RG3_H1' calculates the following quantities: Quantity | Description |
d_92_RG3_H8-92_RG3_H1'.value | the DISTANCE between this pair of atoms |
signal_92_RG3_H8-92_RG3_H1': MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=d_92_RG3_H8-92_RG3_H1' FUNCthe function you wish to evaluate=1/x^6 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The MATHEVAL action with label signal_92_RG3_H8-92_RG3_H1' calculates the following quantities: Quantity | Description |
signal_92_RG3_H8-92_RG3_H1'.value | an arbitrary function |
MAXENTAdd a linear biasing potential on one or more variables that satisfies a maximum entropy principle. More details ...
LABELa label for the action so that its output can be referenced in the input to other actions=res
FILELagrangian multipliers output file=SB2_NPT_RECT.LAGMULT
ARGthe labels of the scalars on which the bias will act=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'
KAPPA specifies the initial value for the learning rate=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-9
TAUSpecify the dumping time for the learning rate=20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0,20.0
ERROR_TYPEspecify the prior on the error to use=GAUSSIAN
SIGMAThe typical errors expected on observable=0.50
PACEthe frequency for Lagrangian multipliers update=10
PRINT_STRIDEstride of Lagrangian multipliers output file=500
APPLY_WEIGHTSVector of weights containing 1 in correspondence of each replica that will receive the Lagrangian multiplier from the current one=1,0.719683,0.517947,0.372759,0.26827,0.19307,0.138949,0.1
TYPEspecify the restraint type=INEQUAL> ATthe position of the restraint=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
... MAXENT
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 |
PRINTPrint quantities to a file. More details ...
ARGthe labels of the values that you would like to print to the file=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.bias
STRIDE the frequency with which the quantities of interest should be output=500 FILEthe name of the file on which to output these quantities=SB2_RECT
... PRINT
# --- End of included input ---
METADUsed to performed metadynamics on one or more collective variables. More details ARGthe labels of the scalars on which the bias will act=c77 SIGMAthe widths of the Gaussian hills=0.25 HEIGHTthe heights of the Gaussian hills=0 PACEthe frequency for hill addition=500 BIASFACTORuse well tempered metadynamics and use this bias factor=1.001 TEMPthe system temperature - this is only needed if you are doing well-tempered metadynamics=300 GRID_MINthe lower bounds for the grid=-pi GRID_MAXthe upper bounds for the grid=pi FILE a file in which the list of added hills is stored=HILLSc77
METADUsed to performed metadynamics on one or more collective variables. More details ARGthe labels of the scalars on which the bias will act=c78 SIGMAthe widths of the Gaussian hills=0.25 HEIGHTthe heights of the Gaussian hills=0 PACEthe frequency for hill addition=500 BIASFACTORuse well tempered metadynamics and use this bias factor=1.001 TEMPthe system temperature - this is only needed if you are doing well-tempered metadynamics=300 GRID_MINthe lower bounds for the grid=-pi GRID_MAXthe upper bounds for the grid=pi FILE a file in which the list of added hills is stored=HILLSc78
METADUsed to performed metadynamics on one or more collective variables. More details ARGthe labels of the scalars on which the bias will act=c79 SIGMAthe widths of the Gaussian hills=0.25 HEIGHTthe heights of the Gaussian hills=0 PACEthe frequency for hill addition=500 BIASFACTORuse well tempered metadynamics and use this bias factor=1.001 TEMPthe system temperature - this is only needed if you are doing well-tempered metadynamics=300 GRID_MINthe lower bounds for the grid=-pi GRID_MAXthe upper bounds for the grid=pi FILE a file in which the list of added hills is stored=HILLSc79
METADUsed to performed metadynamics on one or more collective variables. More details ARGthe labels of the scalars on which the bias will act=co77 SIGMAthe widths of the Gaussian hills=0.05 HEIGHTthe heights of the Gaussian hills=0 PACEthe frequency for hill addition=500 BIASFACTORuse well tempered metadynamics and use this bias factor=1.001 TEMPthe system temperature - this is only needed if you are doing well-tempered metadynamics=300 GRID_MINthe lower bounds for the grid=0 GRID_MAXthe upper bounds for the grid=30 FILE a file in which the list of added hills is stored=HILLSco77
METADUsed to performed metadynamics on one or more collective variables. More details ARGthe labels of the scalars on which the bias will act=co78 SIGMAthe widths of the Gaussian hills=0.05 HEIGHTthe heights of the Gaussian hills=0 PACEthe frequency for hill addition=500 BIASFACTORuse well tempered metadynamics and use this bias factor=1.001 TEMPthe system temperature - this is only needed if you are doing well-tempered metadynamics=300 GRID_MINthe lower bounds for the grid=0 GRID_MAXthe upper bounds for the grid=30 FILE a file in which the list of added hills is stored=HILLSco78
METADUsed to performed metadynamics on one or more collective variables. More details ARGthe labels of the scalars on which the bias will act=co79 SIGMAthe widths of the Gaussian hills=0.05 HEIGHTthe heights of the Gaussian hills=0 PACEthe frequency for hill addition=500 BIASFACTORuse well tempered metadynamics and use this bias factor=1.001 TEMPthe system temperature - this is only needed if you are doing well-tempered metadynamics=300 GRID_MINthe lower bounds for the grid=0 GRID_MAXthe upper bounds for the grid=30 FILE a file in which the list of added hills is stored=HILLSco79
FLUSHThis command instructs plumed to flush all the open files with a user specified frequency. More details STRIDEthe frequency with which all the open files should be flushed=50000