Project ID: plumID:21.030
Source: plumed-nest/nrpe/ab.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
tested onv2.9
tested onmaster
#! vim:ft=plumed

#alphaD- cis
ALPHABETA
Calculate the alpha beta CV More details
...
ATOMS1
the atoms involved for each of the torsions you wish to calculate
=24,4,3,1
REFERENCE1
the reference values for each of the torsional angles
=-1.57
ATOMS2
the atoms involved for each of the torsions you wish to calculate
=1,32,31,29
REFERENCE2
the reference values for each of the torsional angles
=-1.57
ATOMS3
the atoms involved for each of the torsions you wish to calculate
=29,55,54,52
REFERENCE3
the reference values for each of the torsional angles
=-1.57
ATOMS4
the atoms involved for each of the torsions you wish to calculate
=52,78,77,75
REFERENCE4
the reference values for each of the torsional angles
=-1.57
ATOMS5
the atoms involved for each of the torsions you wish to calculate
=75,101,100,98
REFERENCE5
the reference values for each of the torsional angles
=-1.57
ATOMS6
the atoms involved for each of the torsions you wish to calculate
=98,124,123,121
REFERENCE6
the reference values for each of the torsional angles
=-1.57
ATOMS7
the atoms involved for each of the torsions you wish to calculate
=121,147,146,144
REFERENCE7
the reference values for each of the torsional angles
=-1.57
ATOMS8
the atoms involved for each of the torsions you wish to calculate
=144,170,169,167
REFERENCE8
the reference values for each of the torsional angles
=-1.57
ATOMS9
the atoms involved for each of the torsions you wish to calculate
=167,193,192,190
REFERENCE9
the reference values for each of the torsional angles
=-1.57
ATOMS10
the atoms involved for each of the torsions you wish to calculate
=190,216,215,213
REFERENCE10
the reference values for each of the torsional angles
=-1.57
ATOMS11
the atoms involved for each of the torsions you wish to calculate
=213,239,238,236
REFERENCE11
the reference values for each of the torsional angles
=-1.57
ATOMS12
the atoms involved for each of the torsions you wish to calculate
=26,24,4,3
REFERENCE12
the reference values for each of the torsional angles
=3.14
ATOMS13
the atoms involved for each of the torsions you wish to calculate
=3,1,32,31
REFERENCE13
the reference values for each of the torsional angles
=3.14
ATOMS14
the atoms involved for each of the torsions you wish to calculate
=31,29,55,54
REFERENCE14
the reference values for each of the torsional angles
=3.14
ATOMS15
the atoms involved for each of the torsions you wish to calculate
=54,52,78,77
REFERENCE15
the reference values for each of the torsional angles
=3.14
ATOMS16
the atoms involved for each of the torsions you wish to calculate
=77,75,101,100
REFERENCE16
the reference values for each of the torsional angles
=3.14
ATOMS17
the atoms involved for each of the torsions you wish to calculate
=100,98,124,123
REFERENCE17
the reference values for each of the torsional angles
=3.14
ATOMS18
the atoms involved for each of the torsions you wish to calculate
=123,121,147,146
REFERENCE18
the reference values for each of the torsional angles
=3.14
ATOMS19
the atoms involved for each of the torsions you wish to calculate
=146,144,170,169
REFERENCE19
the reference values for each of the torsional angles
=3.14
ATOMS20
the atoms involved for each of the torsions you wish to calculate
=169,167,193,192
REFERENCE20
the reference values for each of the torsional angles
=3.14
ATOMS21
the atoms involved for each of the torsions you wish to calculate
=192,190,216,215
REFERENCE21
the reference values for each of the torsional angles
=3.14
ATOMS22
the atoms involved for each of the torsions you wish to calculate
=215,213,239,238
REFERENCE22
the reference values for each of the torsional angles
=3.14
ATOMS23
the atoms involved for each of the torsions you wish to calculate
=238,236,261,259
REFERENCE23
the reference values for each of the torsional angles
=3.14
ATOMS24
the atoms involved for each of the torsions you wish to calculate
=4,3,1,32
REFERENCE24
the reference values for each of the torsional angles
=0
ATOMS25
the atoms involved for each of the torsions you wish to calculate
=32,31,29,55
REFERENCE25
the reference values for each of the torsional angles
=0
ATOMS26
the atoms involved for each of the torsions you wish to calculate
=55,54,52,78
REFERENCE26
the reference values for each of the torsional angles
=0
ATOMS27
the atoms involved for each of the torsions you wish to calculate
=78,77,75,101
REFERENCE27
the reference values for each of the torsional angles
=0
ATOMS28
the atoms involved for each of the torsions you wish to calculate
=101,100,98,124
REFERENCE28
the reference values for each of the torsional angles
=0
ATOMS29
the atoms involved for each of the torsions you wish to calculate
=124,123,121,147
REFERENCE29
the reference values for each of the torsional angles
=0
ATOMS30
the atoms involved for each of the torsions you wish to calculate
=147,146,144,170
REFERENCE30
the reference values for each of the torsional angles
=0
ATOMS31
the atoms involved for each of the torsions you wish to calculate
=170,169,167,193
REFERENCE31
the reference values for each of the torsional angles
=0
ATOMS32
the atoms involved for each of the torsions you wish to calculate
=193,192,190,216
REFERENCE32
the reference values for each of the torsional angles
=0
ATOMS33
the atoms involved for each of the torsions you wish to calculate
=216,215,213,239
REFERENCE33
the reference values for each of the torsional angles
=0
ATOMS34
the atoms involved for each of the torsions you wish to calculate
=239,238,236,261
REFERENCE34
the reference values for each of the torsional angles
=0
LABEL
a label for the action so that its output can be referenced in the input to other actions
=alpha_d_minus ... ALPHABETA
#alphaD- trans
ALPHABETA
Calculate the alpha beta CV More details
...
ATOMS1
the atoms involved for each of the torsions you wish to calculate
=24,4,3,1
REFERENCE1
the reference values for each of the torsional angles
=-1.57
ATOMS2
the atoms involved for each of the torsions you wish to calculate
=1,32,31,29
REFERENCE2
the reference values for each of the torsional angles
=-1.57
ATOMS3
the atoms involved for each of the torsions you wish to calculate
=29,55,54,52
REFERENCE3
the reference values for each of the torsional angles
=-1.57
ATOMS4
the atoms involved for each of the torsions you wish to calculate
=52,78,77,75
REFERENCE4
the reference values for each of the torsional angles
=-1.57
ATOMS5
the atoms involved for each of the torsions you wish to calculate
=75,101,100,98
REFERENCE5
the reference values for each of the torsional angles
=-1.57
ATOMS6
the atoms involved for each of the torsions you wish to calculate
=98,124,123,121
REFERENCE6
the reference values for each of the torsional angles
=-1.57
ATOMS7
the atoms involved for each of the torsions you wish to calculate
=121,147,146,144
REFERENCE7
the reference values for each of the torsional angles
=-1.57
ATOMS8
the atoms involved for each of the torsions you wish to calculate
=144,170,169,167
REFERENCE8
the reference values for each of the torsional angles
=-1.57
ATOMS9
the atoms involved for each of the torsions you wish to calculate
=167,193,192,190
REFERENCE9
the reference values for each of the torsional angles
=-1.57
ATOMS10
the atoms involved for each of the torsions you wish to calculate
=190,216,215,213
REFERENCE10
the reference values for each of the torsional angles
=-1.57
ATOMS11
the atoms involved for each of the torsions you wish to calculate
=213,239,238,236
REFERENCE11
the reference values for each of the torsional angles
=-1.57
ATOMS12
the atoms involved for each of the torsions you wish to calculate
=26,24,4,3
REFERENCE12
the reference values for each of the torsional angles
=3.14
ATOMS13
the atoms involved for each of the torsions you wish to calculate
=3,1,32,31
REFERENCE13
the reference values for each of the torsional angles
=3.14
ATOMS14
the atoms involved for each of the torsions you wish to calculate
=31,29,55,54
REFERENCE14
the reference values for each of the torsional angles
=3.14
ATOMS15
the atoms involved for each of the torsions you wish to calculate
=54,52,78,77
REFERENCE15
the reference values for each of the torsional angles
=3.14
ATOMS16
the atoms involved for each of the torsions you wish to calculate
=77,75,101,100
REFERENCE16
the reference values for each of the torsional angles
=3.14
ATOMS17
the atoms involved for each of the torsions you wish to calculate
=100,98,124,123
REFERENCE17
the reference values for each of the torsional angles
=3.14
ATOMS18
the atoms involved for each of the torsions you wish to calculate
=123,121,147,146
REFERENCE18
the reference values for each of the torsional angles
=3.14
ATOMS19
the atoms involved for each of the torsions you wish to calculate
=146,144,170,169
REFERENCE19
the reference values for each of the torsional angles
=3.14
ATOMS20
the atoms involved for each of the torsions you wish to calculate
=169,167,193,192
REFERENCE20
the reference values for each of the torsional angles
=3.14
ATOMS21
the atoms involved for each of the torsions you wish to calculate
=192,190,216,215
REFERENCE21
the reference values for each of the torsional angles
=3.14
ATOMS22
the atoms involved for each of the torsions you wish to calculate
=215,213,239,238
REFERENCE22
the reference values for each of the torsional angles
=3.14
ATOMS23
the atoms involved for each of the torsions you wish to calculate
=238,236,261,259
REFERENCE23
the reference values for each of the torsional angles
=3.14
ATOMS24
the atoms involved for each of the torsions you wish to calculate
=4,3,1,32
REFERENCE24
the reference values for each of the torsional angles
=3.14
ATOMS25
the atoms involved for each of the torsions you wish to calculate
=32,31,29,55
REFERENCE25
the reference values for each of the torsional angles
=3.14
ATOMS26
the atoms involved for each of the torsions you wish to calculate
=55,54,52,78
REFERENCE26
the reference values for each of the torsional angles
=3.14
ATOMS27
the atoms involved for each of the torsions you wish to calculate
=78,77,75,101
REFERENCE27
the reference values for each of the torsional angles
=3.14
ATOMS28
the atoms involved for each of the torsions you wish to calculate
=101,100,98,124
REFERENCE28
the reference values for each of the torsional angles
=3.14
ATOMS29
the atoms involved for each of the torsions you wish to calculate
=124,123,121,147
REFERENCE29
the reference values for each of the torsional angles
=3.14
ATOMS30
the atoms involved for each of the torsions you wish to calculate
=147,146,144,170
REFERENCE30
the reference values for each of the torsional angles
=3.14
ATOMS31
the atoms involved for each of the torsions you wish to calculate
=170,169,167,193
REFERENCE31
the reference values for each of the torsional angles
=3.14
ATOMS32
the atoms involved for each of the torsions you wish to calculate
=193,192,190,216
REFERENCE32
the reference values for each of the torsional angles
=3.14
ATOMS33
the atoms involved for each of the torsions you wish to calculate
=216,215,213,239
REFERENCE33
the reference values for each of the torsional angles
=3.14
ATOMS34
the atoms involved for each of the torsions you wish to calculate
=239,238,236,261
REFERENCE34
the reference values for each of the torsional angles
=3.14
LABEL
a label for the action so that its output can be referenced in the input to other actions
=alpha_d_minus_trans ... ALPHABETA
#alphaD+ cis
ALPHABETA
Calculate the alpha beta CV More details
...
ATOMS1
the atoms involved for each of the torsions you wish to calculate
=24,4,3,1
REFERENCE1
the reference values for each of the torsional angles
=1.57
ATOMS2
the atoms involved for each of the torsions you wish to calculate
=1,32,31,29
REFERENCE2
the reference values for each of the torsional angles
=1.57
ATOMS3
the atoms involved for each of the torsions you wish to calculate
=29,55,54,52
REFERENCE3
the reference values for each of the torsional angles
=1.57
ATOMS4
the atoms involved for each of the torsions you wish to calculate
=52,78,77,75
REFERENCE4
the reference values for each of the torsional angles
=1.57
ATOMS5
the atoms involved for each of the torsions you wish to calculate
=75,101,100,98
REFERENCE5
the reference values for each of the torsional angles
=1.57
ATOMS6
the atoms involved for each of the torsions you wish to calculate
=98,124,123,121
REFERENCE6
the reference values for each of the torsional angles
=1.57
ATOMS7
the atoms involved for each of the torsions you wish to calculate
=121,147,146,144
REFERENCE7
the reference values for each of the torsional angles
=1.57
ATOMS8
the atoms involved for each of the torsions you wish to calculate
=144,170,169,167
REFERENCE8
the reference values for each of the torsional angles
=1.57
ATOMS9
the atoms involved for each of the torsions you wish to calculate
=167,193,192,190
REFERENCE9
the reference values for each of the torsional angles
=1.57
ATOMS10
the atoms involved for each of the torsions you wish to calculate
=190,216,215,213
REFERENCE10
the reference values for each of the torsional angles
=1.57
ATOMS11
the atoms involved for each of the torsions you wish to calculate
=213,239,238,236
REFERENCE11
the reference values for each of the torsional angles
=1.57
ATOMS12
the atoms involved for each of the torsions you wish to calculate
=26,24,4,3
REFERENCE12
the reference values for each of the torsional angles
=3.14
ATOMS13
the atoms involved for each of the torsions you wish to calculate
=3,1,32,31
REFERENCE13
the reference values for each of the torsional angles
=3.14
ATOMS14
the atoms involved for each of the torsions you wish to calculate
=31,29,55,54
REFERENCE14
the reference values for each of the torsional angles
=3.14
ATOMS15
the atoms involved for each of the torsions you wish to calculate
=54,52,78,77
REFERENCE15
the reference values for each of the torsional angles
=3.14
ATOMS16
the atoms involved for each of the torsions you wish to calculate
=77,75,101,100
REFERENCE16
the reference values for each of the torsional angles
=3.14
ATOMS17
the atoms involved for each of the torsions you wish to calculate
=100,98,124,123
REFERENCE17
the reference values for each of the torsional angles
=3.14
ATOMS18
the atoms involved for each of the torsions you wish to calculate
=123,121,147,146
REFERENCE18
the reference values for each of the torsional angles
=3.14
ATOMS19
the atoms involved for each of the torsions you wish to calculate
=146,144,170,169
REFERENCE19
the reference values for each of the torsional angles
=3.14
ATOMS20
the atoms involved for each of the torsions you wish to calculate
=169,167,193,192
REFERENCE20
the reference values for each of the torsional angles
=3.14
ATOMS21
the atoms involved for each of the torsions you wish to calculate
=192,190,216,215
REFERENCE21
the reference values for each of the torsional angles
=3.14
ATOMS22
the atoms involved for each of the torsions you wish to calculate
=215,213,239,238
REFERENCE22
the reference values for each of the torsional angles
=3.14
ATOMS23
the atoms involved for each of the torsions you wish to calculate
=238,236,261,259
REFERENCE23
the reference values for each of the torsional angles
=3.14
ATOMS24
the atoms involved for each of the torsions you wish to calculate
=4,3,1,32
REFERENCE24
the reference values for each of the torsional angles
=0
ATOMS25
the atoms involved for each of the torsions you wish to calculate
=32,31,29,55
REFERENCE25
the reference values for each of the torsional angles
=0
ATOMS26
the atoms involved for each of the torsions you wish to calculate
=55,54,52,78
REFERENCE26
the reference values for each of the torsional angles
=0
ATOMS27
the atoms involved for each of the torsions you wish to calculate
=78,77,75,101
REFERENCE27
the reference values for each of the torsional angles
=0
ATOMS28
the atoms involved for each of the torsions you wish to calculate
=101,100,98,124
REFERENCE28
the reference values for each of the torsional angles
=0
ATOMS29
the atoms involved for each of the torsions you wish to calculate
=124,123,121,147
REFERENCE29
the reference values for each of the torsional angles
=0
ATOMS30
the atoms involved for each of the torsions you wish to calculate
=147,146,144,170
REFERENCE30
the reference values for each of the torsional angles
=0
ATOMS31
the atoms involved for each of the torsions you wish to calculate
=170,169,167,193
REFERENCE31
the reference values for each of the torsional angles
=0
ATOMS32
the atoms involved for each of the torsions you wish to calculate
=193,192,190,216
REFERENCE32
the reference values for each of the torsional angles
=0
ATOMS33
the atoms involved for each of the torsions you wish to calculate
=216,215,213,239
REFERENCE33
the reference values for each of the torsional angles
=0
ATOMS34
the atoms involved for each of the torsions you wish to calculate
=239,238,236,261
REFERENCE34
the reference values for each of the torsional angles
=0
LABEL
a label for the action so that its output can be referenced in the input to other actions
=alpha_d_plus ... ALPHABETA
#alphaD+ trans
ALPHABETA
Calculate the alpha beta CV More details
...
ATOMS1
the atoms involved for each of the torsions you wish to calculate
=24,4,3,1
REFERENCE1
the reference values for each of the torsional angles
=1.57
ATOMS2
the atoms involved for each of the torsions you wish to calculate
=1,32,31,29
REFERENCE2
the reference values for each of the torsional angles
=1.57
ATOMS3
the atoms involved for each of the torsions you wish to calculate
=29,55,54,52
REFERENCE3
the reference values for each of the torsional angles
=1.57
ATOMS4
the atoms involved for each of the torsions you wish to calculate
=52,78,77,75
REFERENCE4
the reference values for each of the torsional angles
=1.57
ATOMS5
the atoms involved for each of the torsions you wish to calculate
=75,101,100,98
REFERENCE5
the reference values for each of the torsional angles
=1.57
ATOMS6
the atoms involved for each of the torsions you wish to calculate
=98,124,123,121
REFERENCE6
the reference values for each of the torsional angles
=1.57
ATOMS7
the atoms involved for each of the torsions you wish to calculate
=121,147,146,144
REFERENCE7
the reference values for each of the torsional angles
=1.57
ATOMS8
the atoms involved for each of the torsions you wish to calculate
=144,170,169,167
REFERENCE8
the reference values for each of the torsional angles
=1.57
ATOMS9
the atoms involved for each of the torsions you wish to calculate
=167,193,192,190
REFERENCE9
the reference values for each of the torsional angles
=1.57
ATOMS10
the atoms involved for each of the torsions you wish to calculate
=190,216,215,213
REFERENCE10
the reference values for each of the torsional angles
=1.57
ATOMS11
the atoms involved for each of the torsions you wish to calculate
=213,239,238,236
REFERENCE11
the reference values for each of the torsional angles
=1.57
ATOMS12
the atoms involved for each of the torsions you wish to calculate
=26,24,4,3
REFERENCE12
the reference values for each of the torsional angles
=3.14
ATOMS13
the atoms involved for each of the torsions you wish to calculate
=3,1,32,31
REFERENCE13
the reference values for each of the torsional angles
=3.14
ATOMS14
the atoms involved for each of the torsions you wish to calculate
=31,29,55,54
REFERENCE14
the reference values for each of the torsional angles
=3.14
ATOMS15
the atoms involved for each of the torsions you wish to calculate
=54,52,78,77
REFERENCE15
the reference values for each of the torsional angles
=3.14
ATOMS16
the atoms involved for each of the torsions you wish to calculate
=77,75,101,100
REFERENCE16
the reference values for each of the torsional angles
=3.14
ATOMS17
the atoms involved for each of the torsions you wish to calculate
=100,98,124,123
REFERENCE17
the reference values for each of the torsional angles
=3.14
ATOMS18
the atoms involved for each of the torsions you wish to calculate
=123,121,147,146
REFERENCE18
the reference values for each of the torsional angles
=3.14
ATOMS19
the atoms involved for each of the torsions you wish to calculate
=146,144,170,169
REFERENCE19
the reference values for each of the torsional angles
=3.14
ATOMS20
the atoms involved for each of the torsions you wish to calculate
=169,167,193,192
REFERENCE20
the reference values for each of the torsional angles
=3.14
ATOMS21
the atoms involved for each of the torsions you wish to calculate
=192,190,216,215
REFERENCE21
the reference values for each of the torsional angles
=3.14
ATOMS22
the atoms involved for each of the torsions you wish to calculate
=215,213,239,238
REFERENCE22
the reference values for each of the torsional angles
=3.14
ATOMS23
the atoms involved for each of the torsions you wish to calculate
=238,236,261,259
REFERENCE23
the reference values for each of the torsional angles
=3.14
ATOMS24
the atoms involved for each of the torsions you wish to calculate
=4,3,1,32
REFERENCE24
the reference values for each of the torsional angles
=3.14
ATOMS25
the atoms involved for each of the torsions you wish to calculate
=32,31,29,55
REFERENCE25
the reference values for each of the torsional angles
=3.14
ATOMS26
the atoms involved for each of the torsions you wish to calculate
=55,54,52,78
REFERENCE26
the reference values for each of the torsional angles
=3.14
ATOMS27
the atoms involved for each of the torsions you wish to calculate
=78,77,75,101
REFERENCE27
the reference values for each of the torsional angles
=3.14
ATOMS28
the atoms involved for each of the torsions you wish to calculate
=101,100,98,124
REFERENCE28
the reference values for each of the torsional angles
=3.14
ATOMS29
the atoms involved for each of the torsions you wish to calculate
=124,123,121,147
REFERENCE29
the reference values for each of the torsional angles
=3.14
ATOMS30
the atoms involved for each of the torsions you wish to calculate
=147,146,144,170
REFERENCE30
the reference values for each of the torsional angles
=3.14
ATOMS31
the atoms involved for each of the torsions you wish to calculate
=170,169,167,193
REFERENCE31
the reference values for each of the torsional angles
=3.14
ATOMS32
the atoms involved for each of the torsions you wish to calculate
=193,192,190,216
REFERENCE32
the reference values for each of the torsional angles
=3.14
ATOMS33
the atoms involved for each of the torsions you wish to calculate
=216,215,213,239
REFERENCE33
the reference values for each of the torsional angles
=3.14
ATOMS34
the atoms involved for each of the torsions you wish to calculate
=239,238,236,261
REFERENCE34
the reference values for each of the torsional angles
=3.14
LABEL
a label for the action so that its output can be referenced in the input to other actions
=alpha_d_plus_trans ... ALPHABETA
# alpha+ cis
ALPHABETA
Calculate the alpha beta CV More details
...
ATOMS1
the atoms involved for each of the torsions you wish to calculate
=24,4,3,1
REFERENCE1
the reference values for each of the torsional angles
=0.87
ATOMS2
the atoms involved for each of the torsions you wish to calculate
=1,32,31,29
REFERENCE2
the reference values for each of the torsional angles
=0.87
ATOMS3
the atoms involved for each of the torsions you wish to calculate
=29,55,54,52
REFERENCE3
the reference values for each of the torsional angles
=0.87
ATOMS4
the atoms involved for each of the torsions you wish to calculate
=52,78,77,75
REFERENCE4
the reference values for each of the torsional angles
=0.87
ATOMS5
the atoms involved for each of the torsions you wish to calculate
=75,101,100,98
REFERENCE5
the reference values for each of the torsional angles
=0.87
ATOMS6
the atoms involved for each of the torsions you wish to calculate
=98,124,123,121
REFERENCE6
the reference values for each of the torsional angles
=0.87
ATOMS7
the atoms involved for each of the torsions you wish to calculate
=121,147,146,144
REFERENCE7
the reference values for each of the torsional angles
=0.87
ATOMS8
the atoms involved for each of the torsions you wish to calculate
=144,170,169,167
REFERENCE8
the reference values for each of the torsional angles
=0.87
ATOMS9
the atoms involved for each of the torsions you wish to calculate
=167,193,192,190
REFERENCE9
the reference values for each of the torsional angles
=0.87
ATOMS10
the atoms involved for each of the torsions you wish to calculate
=190,216,215,213
REFERENCE10
the reference values for each of the torsional angles
=0.87
ATOMS11
the atoms involved for each of the torsions you wish to calculate
=213,239,238,236
REFERENCE11
the reference values for each of the torsional angles
=0.87
ATOMS12
the atoms involved for each of the torsions you wish to calculate
=26,24,4,3
REFERENCE12
the reference values for each of the torsional angles
=1.0
ATOMS13
the atoms involved for each of the torsions you wish to calculate
=3,1,32,31
REFERENCE13
the reference values for each of the torsional angles
=1.0
ATOMS14
the atoms involved for each of the torsions you wish to calculate
=31,29,55,54
REFERENCE14
the reference values for each of the torsional angles
=1.0
ATOMS15
the atoms involved for each of the torsions you wish to calculate
=54,52,78,77
REFERENCE15
the reference values for each of the torsional angles
=1.0
ATOMS16
the atoms involved for each of the torsions you wish to calculate
=77,75,101,100
REFERENCE16
the reference values for each of the torsional angles
=1.0
ATOMS17
the atoms involved for each of the torsions you wish to calculate
=100,98,124,123
REFERENCE17
the reference values for each of the torsional angles
=1.0
ATOMS18
the atoms involved for each of the torsions you wish to calculate
=123,121,147,146
REFERENCE18
the reference values for each of the torsional angles
=1.0
ATOMS19
the atoms involved for each of the torsions you wish to calculate
=146,144,170,169
REFERENCE19
the reference values for each of the torsional angles
=1.0
ATOMS20
the atoms involved for each of the torsions you wish to calculate
=169,167,193,192
REFERENCE20
the reference values for each of the torsional angles
=1.0
ATOMS21
the atoms involved for each of the torsions you wish to calculate
=192,190,216,215
REFERENCE21
the reference values for each of the torsional angles
=1.0
ATOMS22
the atoms involved for each of the torsions you wish to calculate
=215,213,239,238
REFERENCE22
the reference values for each of the torsional angles
=1.0
ATOMS23
the atoms involved for each of the torsions you wish to calculate
=238,236,261,259
REFERENCE23
the reference values for each of the torsional angles
=1.0
ATOMS24
the atoms involved for each of the torsions you wish to calculate
=4,3,1,32
REFERENCE24
the reference values for each of the torsional angles
=0
ATOMS25
the atoms involved for each of the torsions you wish to calculate
=32,31,29,55
REFERENCE25
the reference values for each of the torsional angles
=0
ATOMS26
the atoms involved for each of the torsions you wish to calculate
=55,54,52,78
REFERENCE26
the reference values for each of the torsional angles
=0
ATOMS27
the atoms involved for each of the torsions you wish to calculate
=78,77,75,101
REFERENCE27
the reference values for each of the torsional angles
=0
ATOMS28
the atoms involved for each of the torsions you wish to calculate
=101,100,98,124
REFERENCE28
the reference values for each of the torsional angles
=0
ATOMS29
the atoms involved for each of the torsions you wish to calculate
=124,123,121,147
REFERENCE29
the reference values for each of the torsional angles
=0
ATOMS30
the atoms involved for each of the torsions you wish to calculate
=147,146,144,170
REFERENCE30
the reference values for each of the torsional angles
=0
ATOMS31
the atoms involved for each of the torsions you wish to calculate
=170,169,167,193
REFERENCE31
the reference values for each of the torsional angles
=0
ATOMS32
the atoms involved for each of the torsions you wish to calculate
=193,192,190,216
REFERENCE32
the reference values for each of the torsional angles
=0
ATOMS33
the atoms involved for each of the torsions you wish to calculate
=216,215,213,239
REFERENCE33
the reference values for each of the torsional angles
=0
ATOMS34
the atoms involved for each of the torsions you wish to calculate
=239,238,236,261
REFERENCE34
the reference values for each of the torsional angles
=0
LABEL
a label for the action so that its output can be referenced in the input to other actions
=alpha_plus ... ALPHABETA
# alpha+ trans
ALPHABETA
Calculate the alpha beta CV More details
...
ATOMS1
the atoms involved for each of the torsions you wish to calculate
=24,4,3,1
REFERENCE1
the reference values for each of the torsional angles
=0.87
ATOMS2
the atoms involved for each of the torsions you wish to calculate
=1,32,31,29
REFERENCE2
the reference values for each of the torsional angles
=0.87
ATOMS3
the atoms involved for each of the torsions you wish to calculate
=29,55,54,52
REFERENCE3
the reference values for each of the torsional angles
=0.87
ATOMS4
the atoms involved for each of the torsions you wish to calculate
=52,78,77,75
REFERENCE4
the reference values for each of the torsional angles
=0.87
ATOMS5
the atoms involved for each of the torsions you wish to calculate
=75,101,100,98
REFERENCE5
the reference values for each of the torsional angles
=0.87
ATOMS6
the atoms involved for each of the torsions you wish to calculate
=98,124,123,121
REFERENCE6
the reference values for each of the torsional angles
=0.87
ATOMS7
the atoms involved for each of the torsions you wish to calculate
=121,147,146,144
REFERENCE7
the reference values for each of the torsional angles
=0.87
ATOMS8
the atoms involved for each of the torsions you wish to calculate
=144,170,169,167
REFERENCE8
the reference values for each of the torsional angles
=0.87
ATOMS9
the atoms involved for each of the torsions you wish to calculate
=167,193,192,190
REFERENCE9
the reference values for each of the torsional angles
=0.87
ATOMS10
the atoms involved for each of the torsions you wish to calculate
=190,216,215,213
REFERENCE10
the reference values for each of the torsional angles
=0.87
ATOMS11
the atoms involved for each of the torsions you wish to calculate
=213,239,238,236
REFERENCE11
the reference values for each of the torsional angles
=0.87
ATOMS12
the atoms involved for each of the torsions you wish to calculate
=26,24,4,3
REFERENCE12
the reference values for each of the torsional angles
=1.0
ATOMS13
the atoms involved for each of the torsions you wish to calculate
=3,1,32,31
REFERENCE13
the reference values for each of the torsional angles
=1.0
ATOMS14
the atoms involved for each of the torsions you wish to calculate
=31,29,55,54
REFERENCE14
the reference values for each of the torsional angles
=1.0
ATOMS15
the atoms involved for each of the torsions you wish to calculate
=54,52,78,77
REFERENCE15
the reference values for each of the torsional angles
=1.0
ATOMS16
the atoms involved for each of the torsions you wish to calculate
=77,75,101,100
REFERENCE16
the reference values for each of the torsional angles
=1.0
ATOMS17
the atoms involved for each of the torsions you wish to calculate
=100,98,124,123
REFERENCE17
the reference values for each of the torsional angles
=1.0
ATOMS18
the atoms involved for each of the torsions you wish to calculate
=123,121,147,146
REFERENCE18
the reference values for each of the torsional angles
=1.0
ATOMS19
the atoms involved for each of the torsions you wish to calculate
=146,144,170,169
REFERENCE19
the reference values for each of the torsional angles
=1.0
ATOMS20
the atoms involved for each of the torsions you wish to calculate
=169,167,193,192
REFERENCE20
the reference values for each of the torsional angles
=1.0
ATOMS21
the atoms involved for each of the torsions you wish to calculate
=192,190,216,215
REFERENCE21
the reference values for each of the torsional angles
=1.0
ATOMS22
the atoms involved for each of the torsions you wish to calculate
=215,213,239,238
REFERENCE22
the reference values for each of the torsional angles
=1.0
ATOMS23
the atoms involved for each of the torsions you wish to calculate
=238,236,261,259
REFERENCE23
the reference values for each of the torsional angles
=1.0
ATOMS24
the atoms involved for each of the torsions you wish to calculate
=4,3,1,32
REFERENCE24
the reference values for each of the torsional angles
=3.14
ATOMS25
the atoms involved for each of the torsions you wish to calculate
=32,31,29,55
REFERENCE25
the reference values for each of the torsional angles
=3.14
ATOMS26
the atoms involved for each of the torsions you wish to calculate
=55,54,52,78
REFERENCE26
the reference values for each of the torsional angles
=3.14
ATOMS27
the atoms involved for each of the torsions you wish to calculate
=78,77,75,101
REFERENCE27
the reference values for each of the torsional angles
=3.14
ATOMS28
the atoms involved for each of the torsions you wish to calculate
=101,100,98,124
REFERENCE28
the reference values for each of the torsional angles
=3.14
ATOMS29
the atoms involved for each of the torsions you wish to calculate
=124,123,121,147
REFERENCE29
the reference values for each of the torsional angles
=3.14
ATOMS30
the atoms involved for each of the torsions you wish to calculate
=147,146,144,170
REFERENCE30
the reference values for each of the torsional angles
=3.14
ATOMS31
the atoms involved for each of the torsions you wish to calculate
=170,169,167,193
REFERENCE31
the reference values for each of the torsional angles
=3.14
ATOMS32
the atoms involved for each of the torsions you wish to calculate
=193,192,190,216
REFERENCE32
the reference values for each of the torsional angles
=3.14
ATOMS33
the atoms involved for each of the torsions you wish to calculate
=216,215,213,239
REFERENCE33
the reference values for each of the torsional angles
=3.14
ATOMS34
the atoms involved for each of the torsions you wish to calculate
=239,238,236,261
REFERENCE34
the reference values for each of the torsional angles
=3.14
LABEL
a label for the action so that its output can be referenced in the input to other actions
=alpha_plus_trans ... ALPHABETA
# alpha- cis
ALPHABETA
Calculate the alpha beta CV More details
...
ATOMS1
the atoms involved for each of the torsions you wish to calculate
=24,4,3,1
REFERENCE1
the reference values for each of the torsional angles
=-0.87
ATOMS2
the atoms involved for each of the torsions you wish to calculate
=1,32,31,29
REFERENCE2
the reference values for each of the torsional angles
=-0.87
ATOMS3
the atoms involved for each of the torsions you wish to calculate
=29,55,54,52
REFERENCE3
the reference values for each of the torsional angles
=-0.87
ATOMS4
the atoms involved for each of the torsions you wish to calculate
=52,78,77,75
REFERENCE4
the reference values for each of the torsional angles
=-0.87
ATOMS5
the atoms involved for each of the torsions you wish to calculate
=75,101,100,98
REFERENCE5
the reference values for each of the torsional angles
=-0.87
ATOMS6
the atoms involved for each of the torsions you wish to calculate
=98,124,123,121
REFERENCE6
the reference values for each of the torsional angles
=-0.87
ATOMS7
the atoms involved for each of the torsions you wish to calculate
=121,147,146,144
REFERENCE7
the reference values for each of the torsional angles
=-0.87
ATOMS8
the atoms involved for each of the torsions you wish to calculate
=144,170,169,167
REFERENCE8
the reference values for each of the torsional angles
=-0.87
ATOMS9
the atoms involved for each of the torsions you wish to calculate
=167,193,192,190
REFERENCE9
the reference values for each of the torsional angles
=-0.87
ATOMS10
the atoms involved for each of the torsions you wish to calculate
=190,216,215,213
REFERENCE10
the reference values for each of the torsional angles
=-0.87
ATOMS11
the atoms involved for each of the torsions you wish to calculate
=213,239,238,236
REFERENCE11
the reference values for each of the torsional angles
=-0.87
ATOMS12
the atoms involved for each of the torsions you wish to calculate
=26,24,4,3
REFERENCE12
the reference values for each of the torsional angles
=-1.0
ATOMS13
the atoms involved for each of the torsions you wish to calculate
=3,1,32,31
REFERENCE13
the reference values for each of the torsional angles
=-1.0
ATOMS14
the atoms involved for each of the torsions you wish to calculate
=31,29,55,54
REFERENCE14
the reference values for each of the torsional angles
=-1.0
ATOMS15
the atoms involved for each of the torsions you wish to calculate
=54,52,78,77
REFERENCE15
the reference values for each of the torsional angles
=-1.0
ATOMS16
the atoms involved for each of the torsions you wish to calculate
=77,75,101,100
REFERENCE16
the reference values for each of the torsional angles
=-1.0
ATOMS17
the atoms involved for each of the torsions you wish to calculate
=100,98,124,123
REFERENCE17
the reference values for each of the torsional angles
=-1.0
ATOMS18
the atoms involved for each of the torsions you wish to calculate
=123,121,147,146
REFERENCE18
the reference values for each of the torsional angles
=-1.0
ATOMS19
the atoms involved for each of the torsions you wish to calculate
=146,144,170,169
REFERENCE19
the reference values for each of the torsional angles
=-1.0
ATOMS20
the atoms involved for each of the torsions you wish to calculate
=169,167,193,192
REFERENCE20
the reference values for each of the torsional angles
=-1.0
ATOMS21
the atoms involved for each of the torsions you wish to calculate
=192,190,216,215
REFERENCE21
the reference values for each of the torsional angles
=-1.0
ATOMS22
the atoms involved for each of the torsions you wish to calculate
=215,213,239,238
REFERENCE22
the reference values for each of the torsional angles
=-1.0
ATOMS23
the atoms involved for each of the torsions you wish to calculate
=238,236,261,259
REFERENCE23
the reference values for each of the torsional angles
=-1.0
ATOMS24
the atoms involved for each of the torsions you wish to calculate
=4,3,1,32
REFERENCE24
the reference values for each of the torsional angles
=0
ATOMS25
the atoms involved for each of the torsions you wish to calculate
=32,31,29,55
REFERENCE25
the reference values for each of the torsional angles
=0
ATOMS26
the atoms involved for each of the torsions you wish to calculate
=55,54,52,78
REFERENCE26
the reference values for each of the torsional angles
=0
ATOMS27
the atoms involved for each of the torsions you wish to calculate
=78,77,75,101
REFERENCE27
the reference values for each of the torsional angles
=0
ATOMS28
the atoms involved for each of the torsions you wish to calculate
=101,100,98,124
REFERENCE28
the reference values for each of the torsional angles
=0
ATOMS29
the atoms involved for each of the torsions you wish to calculate
=124,123,121,147
REFERENCE29
the reference values for each of the torsional angles
=0
ATOMS30
the atoms involved for each of the torsions you wish to calculate
=147,146,144,170
REFERENCE30
the reference values for each of the torsional angles
=0
ATOMS31
the atoms involved for each of the torsions you wish to calculate
=170,169,167,193
REFERENCE31
the reference values for each of the torsional angles
=0
ATOMS32
the atoms involved for each of the torsions you wish to calculate
=193,192,190,216
REFERENCE32
the reference values for each of the torsional angles
=0
ATOMS33
the atoms involved for each of the torsions you wish to calculate
=216,215,213,239
REFERENCE33
the reference values for each of the torsional angles
=0
ATOMS34
the atoms involved for each of the torsions you wish to calculate
=239,238,236,261
REFERENCE34
the reference values for each of the torsional angles
=0
LABEL
a label for the action so that its output can be referenced in the input to other actions
=alpha_minus ... ALPHABETA
# alpha- trans
ALPHABETA
Calculate the alpha beta CV More details
...
ATOMS1
the atoms involved for each of the torsions you wish to calculate
=24,4,3,1
REFERENCE1
the reference values for each of the torsional angles
=-0.87
ATOMS2
the atoms involved for each of the torsions you wish to calculate
=1,32,31,29
REFERENCE2
the reference values for each of the torsional angles
=-0.87
ATOMS3
the atoms involved for each of the torsions you wish to calculate
=29,55,54,52
REFERENCE3
the reference values for each of the torsional angles
=-0.87
ATOMS4
the atoms involved for each of the torsions you wish to calculate
=52,78,77,75
REFERENCE4
the reference values for each of the torsional angles
=-0.87
ATOMS5
the atoms involved for each of the torsions you wish to calculate
=75,101,100,98
REFERENCE5
the reference values for each of the torsional angles
=-0.87
ATOMS6
the atoms involved for each of the torsions you wish to calculate
=98,124,123,121
REFERENCE6
the reference values for each of the torsional angles
=-0.87
ATOMS7
the atoms involved for each of the torsions you wish to calculate
=121,147,146,144
REFERENCE7
the reference values for each of the torsional angles
=-0.87
ATOMS8
the atoms involved for each of the torsions you wish to calculate
=144,170,169,167
REFERENCE8
the reference values for each of the torsional angles
=-0.87
ATOMS9
the atoms involved for each of the torsions you wish to calculate
=167,193,192,190
REFERENCE9
the reference values for each of the torsional angles
=-0.87
ATOMS10
the atoms involved for each of the torsions you wish to calculate
=190,216,215,213
REFERENCE10
the reference values for each of the torsional angles
=-0.87
ATOMS11
the atoms involved for each of the torsions you wish to calculate
=213,239,238,236
REFERENCE11
the reference values for each of the torsional angles
=-0.87
ATOMS12
the atoms involved for each of the torsions you wish to calculate
=26,24,4,3
REFERENCE12
the reference values for each of the torsional angles
=-1.0
ATOMS13
the atoms involved for each of the torsions you wish to calculate
=3,1,32,31
REFERENCE13
the reference values for each of the torsional angles
=-1.0
ATOMS14
the atoms involved for each of the torsions you wish to calculate
=31,29,55,54
REFERENCE14
the reference values for each of the torsional angles
=-1.0
ATOMS15
the atoms involved for each of the torsions you wish to calculate
=54,52,78,77
REFERENCE15
the reference values for each of the torsional angles
=-1.0
ATOMS16
the atoms involved for each of the torsions you wish to calculate
=77,75,101,100
REFERENCE16
the reference values for each of the torsional angles
=-1.0
ATOMS17
the atoms involved for each of the torsions you wish to calculate
=100,98,124,123
REFERENCE17
the reference values for each of the torsional angles
=-1.0
ATOMS18
the atoms involved for each of the torsions you wish to calculate
=123,121,147,146
REFERENCE18
the reference values for each of the torsional angles
=-1.0
ATOMS19
the atoms involved for each of the torsions you wish to calculate
=146,144,170,169
REFERENCE19
the reference values for each of the torsional angles
=-1.0
ATOMS20
the atoms involved for each of the torsions you wish to calculate
=169,167,193,192
REFERENCE20
the reference values for each of the torsional angles
=-1.0
ATOMS21
the atoms involved for each of the torsions you wish to calculate
=192,190,216,215
REFERENCE21
the reference values for each of the torsional angles
=-1.0
ATOMS22
the atoms involved for each of the torsions you wish to calculate
=215,213,239,238
REFERENCE22
the reference values for each of the torsional angles
=-1.0
ATOMS23
the atoms involved for each of the torsions you wish to calculate
=238,236,261,259
REFERENCE23
the reference values for each of the torsional angles
=-1.0
ATOMS24
the atoms involved for each of the torsions you wish to calculate
=4,3,1,32
REFERENCE24
the reference values for each of the torsional angles
=3.14
ATOMS25
the atoms involved for each of the torsions you wish to calculate
=32,31,29,55
REFERENCE25
the reference values for each of the torsional angles
=3.14
ATOMS26
the atoms involved for each of the torsions you wish to calculate
=55,54,52,78
REFERENCE26
the reference values for each of the torsional angles
=3.14
ATOMS27
the atoms involved for each of the torsions you wish to calculate
=78,77,75,101
REFERENCE27
the reference values for each of the torsional angles
=3.14
ATOMS28
the atoms involved for each of the torsions you wish to calculate
=101,100,98,124
REFERENCE28
the reference values for each of the torsional angles
=3.14
ATOMS29
the atoms involved for each of the torsions you wish to calculate
=124,123,121,147
REFERENCE29
the reference values for each of the torsional angles
=3.14
ATOMS30
the atoms involved for each of the torsions you wish to calculate
=147,146,144,170
REFERENCE30
the reference values for each of the torsional angles
=3.14
ATOMS31
the atoms involved for each of the torsions you wish to calculate
=170,169,167,193
REFERENCE31
the reference values for each of the torsional angles
=3.14
ATOMS32
the atoms involved for each of the torsions you wish to calculate
=193,192,190,216
REFERENCE32
the reference values for each of the torsional angles
=3.14
ATOMS33
the atoms involved for each of the torsions you wish to calculate
=216,215,213,239
REFERENCE33
the reference values for each of the torsional angles
=3.14
ATOMS34
the atoms involved for each of the torsions you wish to calculate
=239,238,236,261
REFERENCE34
the reference values for each of the torsional angles
=3.14
LABEL
a label for the action so that its output can be referenced in the input to other actions
=alpha_minus_trans ... ALPHABETA
#c7beta+ cis
ALPHABETA
Calculate the alpha beta CV More details
...
ATOMS1
the atoms involved for each of the torsions you wish to calculate
=24,4,3,1
REFERENCE1
the reference values for each of the torsional angles
=2.09
ATOMS2
the atoms involved for each of the torsions you wish to calculate
=1,32,31,29
REFERENCE2
the reference values for each of the torsional angles
=2.09
ATOMS3
the atoms involved for each of the torsions you wish to calculate
=29,55,54,52
REFERENCE3
the reference values for each of the torsional angles
=2.09
ATOMS4
the atoms involved for each of the torsions you wish to calculate
=52,78,77,75
REFERENCE4
the reference values for each of the torsional angles
=2.09
ATOMS5
the atoms involved for each of the torsions you wish to calculate
=75,101,100,98
REFERENCE5
the reference values for each of the torsional angles
=2.09
ATOMS6
the atoms involved for each of the torsions you wish to calculate
=98,124,123,121
REFERENCE6
the reference values for each of the torsional angles
=2.09
ATOMS7
the atoms involved for each of the torsions you wish to calculate
=121,147,146,144
REFERENCE7
the reference values for each of the torsional angles
=2.09
ATOMS8
the atoms involved for each of the torsions you wish to calculate
=144,170,169,167
REFERENCE8
the reference values for each of the torsional angles
=2.09
ATOMS9
the atoms involved for each of the torsions you wish to calculate
=167,193,192,190
REFERENCE9
the reference values for each of the torsional angles
=2.09
ATOMS10
the atoms involved for each of the torsions you wish to calculate
=190,216,215,213
REFERENCE10
the reference values for each of the torsional angles
=2.09
ATOMS11
the atoms involved for each of the torsions you wish to calculate
=213,239,238,236
REFERENCE11
the reference values for each of the torsional angles
=2.09
ATOMS12
the atoms involved for each of the torsions you wish to calculate
=26,24,4,3
REFERENCE12
the reference values for each of the torsional angles
=-1.3
ATOMS13
the atoms involved for each of the torsions you wish to calculate
=3,1,32,31
REFERENCE13
the reference values for each of the torsional angles
=-1.3
ATOMS14
the atoms involved for each of the torsions you wish to calculate
=31,29,55,54
REFERENCE14
the reference values for each of the torsional angles
=-1.3
ATOMS15
the atoms involved for each of the torsions you wish to calculate
=54,52,78,77
REFERENCE15
the reference values for each of the torsional angles
=-1.3
ATOMS16
the atoms involved for each of the torsions you wish to calculate
=77,75,101,100
REFERENCE16
the reference values for each of the torsional angles
=-1.3
ATOMS17
the atoms involved for each of the torsions you wish to calculate
=100,98,124,123
REFERENCE17
the reference values for each of the torsional angles
=-1.3
ATOMS18
the atoms involved for each of the torsions you wish to calculate
=123,121,147,146
REFERENCE18
the reference values for each of the torsional angles
=-1.3
ATOMS19
the atoms involved for each of the torsions you wish to calculate
=146,144,170,169
REFERENCE19
the reference values for each of the torsional angles
=-1.3
ATOMS20
the atoms involved for each of the torsions you wish to calculate
=169,167,193,192
REFERENCE20
the reference values for each of the torsional angles
=-1.3
ATOMS21
the atoms involved for each of the torsions you wish to calculate
=192,190,216,215
REFERENCE21
the reference values for each of the torsional angles
=-1.3
ATOMS22
the atoms involved for each of the torsions you wish to calculate
=215,213,239,238
REFERENCE22
the reference values for each of the torsional angles
=-1.3
ATOMS23
the atoms involved for each of the torsions you wish to calculate
=238,236,261,259
REFERENCE23
the reference values for each of the torsional angles
=-1.3
ATOMS24
the atoms involved for each of the torsions you wish to calculate
=4,3,1,32
REFERENCE24
the reference values for each of the torsional angles
=0
ATOMS25
the atoms involved for each of the torsions you wish to calculate
=32,31,29,55
REFERENCE25
the reference values for each of the torsional angles
=0
ATOMS26
the atoms involved for each of the torsions you wish to calculate
=55,54,52,78
REFERENCE26
the reference values for each of the torsional angles
=0
ATOMS27
the atoms involved for each of the torsions you wish to calculate
=78,77,75,101
REFERENCE27
the reference values for each of the torsional angles
=0
ATOMS28
the atoms involved for each of the torsions you wish to calculate
=101,100,98,124
REFERENCE28
the reference values for each of the torsional angles
=0
ATOMS29
the atoms involved for each of the torsions you wish to calculate
=124,123,121,147
REFERENCE29
the reference values for each of the torsional angles
=0
ATOMS30
the atoms involved for each of the torsions you wish to calculate
=147,146,144,170
REFERENCE30
the reference values for each of the torsional angles
=0
ATOMS31
the atoms involved for each of the torsions you wish to calculate
=170,169,167,193
REFERENCE31
the reference values for each of the torsional angles
=0
ATOMS32
the atoms involved for each of the torsions you wish to calculate
=193,192,190,216
REFERENCE32
the reference values for each of the torsional angles
=0
ATOMS33
the atoms involved for each of the torsions you wish to calculate
=216,215,213,239
REFERENCE33
the reference values for each of the torsional angles
=0
ATOMS34
the atoms involved for each of the torsions you wish to calculate
=239,238,236,261
REFERENCE34
the reference values for each of the torsional angles
=0
LABEL
a label for the action so that its output can be referenced in the input to other actions
=c7beta_plus ... ALPHABETA
#c7beta+ trans
ALPHABETA
Calculate the alpha beta CV More details
...
ATOMS1
the atoms involved for each of the torsions you wish to calculate
=24,4,3,1
REFERENCE1
the reference values for each of the torsional angles
=2.09
ATOMS2
the atoms involved for each of the torsions you wish to calculate
=1,32,31,29
REFERENCE2
the reference values for each of the torsional angles
=2.09
ATOMS3
the atoms involved for each of the torsions you wish to calculate
=29,55,54,52
REFERENCE3
the reference values for each of the torsional angles
=2.09
ATOMS4
the atoms involved for each of the torsions you wish to calculate
=52,78,77,75
REFERENCE4
the reference values for each of the torsional angles
=2.09
ATOMS5
the atoms involved for each of the torsions you wish to calculate
=75,101,100,98
REFERENCE5
the reference values for each of the torsional angles
=2.09
ATOMS6
the atoms involved for each of the torsions you wish to calculate
=98,124,123,121
REFERENCE6
the reference values for each of the torsional angles
=2.09
ATOMS7
the atoms involved for each of the torsions you wish to calculate
=121,147,146,144
REFERENCE7
the reference values for each of the torsional angles
=2.09
ATOMS8
the atoms involved for each of the torsions you wish to calculate
=144,170,169,167
REFERENCE8
the reference values for each of the torsional angles
=2.09
ATOMS9
the atoms involved for each of the torsions you wish to calculate
=167,193,192,190
REFERENCE9
the reference values for each of the torsional angles
=2.09
ATOMS10
the atoms involved for each of the torsions you wish to calculate
=190,216,215,213
REFERENCE10
the reference values for each of the torsional angles
=2.09
ATOMS11
the atoms involved for each of the torsions you wish to calculate
=213,239,238,236
REFERENCE11
the reference values for each of the torsional angles
=2.09
ATOMS12
the atoms involved for each of the torsions you wish to calculate
=26,24,4,3
REFERENCE12
the reference values for each of the torsional angles
=-1.3
ATOMS13
the atoms involved for each of the torsions you wish to calculate
=3,1,32,31
REFERENCE13
the reference values for each of the torsional angles
=-1.3
ATOMS14
the atoms involved for each of the torsions you wish to calculate
=31,29,55,54
REFERENCE14
the reference values for each of the torsional angles
=-1.3
ATOMS15
the atoms involved for each of the torsions you wish to calculate
=54,52,78,77
REFERENCE15
the reference values for each of the torsional angles
=-1.3
ATOMS16
the atoms involved for each of the torsions you wish to calculate
=77,75,101,100
REFERENCE16
the reference values for each of the torsional angles
=-1.3
ATOMS17
the atoms involved for each of the torsions you wish to calculate
=100,98,124,123
REFERENCE17
the reference values for each of the torsional angles
=-1.3
ATOMS18
the atoms involved for each of the torsions you wish to calculate
=123,121,147,146
REFERENCE18
the reference values for each of the torsional angles
=-1.3
ATOMS19
the atoms involved for each of the torsions you wish to calculate
=146,144,170,169
REFERENCE19
the reference values for each of the torsional angles
=-1.3
ATOMS20
the atoms involved for each of the torsions you wish to calculate
=169,167,193,192
REFERENCE20
the reference values for each of the torsional angles
=-1.3
ATOMS21
the atoms involved for each of the torsions you wish to calculate
=192,190,216,215
REFERENCE21
the reference values for each of the torsional angles
=-1.3
ATOMS22
the atoms involved for each of the torsions you wish to calculate
=215,213,239,238
REFERENCE22
the reference values for each of the torsional angles
=-1.3
ATOMS23
the atoms involved for each of the torsions you wish to calculate
=238,236,261,259
REFERENCE23
the reference values for each of the torsional angles
=-1.3
ATOMS24
the atoms involved for each of the torsions you wish to calculate
=4,3,1,32
REFERENCE24
the reference values for each of the torsional angles
=3.14
ATOMS25
the atoms involved for each of the torsions you wish to calculate
=32,31,29,55
REFERENCE25
the reference values for each of the torsional angles
=3.14
ATOMS26
the atoms involved for each of the torsions you wish to calculate
=55,54,52,78
REFERENCE26
the reference values for each of the torsional angles
=3.14
ATOMS27
the atoms involved for each of the torsions you wish to calculate
=78,77,75,101
REFERENCE27
the reference values for each of the torsional angles
=3.14
ATOMS28
the atoms involved for each of the torsions you wish to calculate
=101,100,98,124
REFERENCE28
the reference values for each of the torsional angles
=3.14
ATOMS29
the atoms involved for each of the torsions you wish to calculate
=124,123,121,147
REFERENCE29
the reference values for each of the torsional angles
=3.14
ATOMS30
the atoms involved for each of the torsions you wish to calculate
=147,146,144,170
REFERENCE30
the reference values for each of the torsional angles
=3.14
ATOMS31
the atoms involved for each of the torsions you wish to calculate
=170,169,167,193
REFERENCE31
the reference values for each of the torsional angles
=3.14
ATOMS32
the atoms involved for each of the torsions you wish to calculate
=193,192,190,216
REFERENCE32
the reference values for each of the torsional angles
=3.14
ATOMS33
the atoms involved for each of the torsions you wish to calculate
=216,215,213,239
REFERENCE33
the reference values for each of the torsional angles
=3.14
ATOMS34
the atoms involved for each of the torsions you wish to calculate
=239,238,236,261
REFERENCE34
the reference values for each of the torsional angles
=3.14
LABEL
a label for the action so that its output can be referenced in the input to other actions
=c7beta_plus_trans ... ALPHABETA
#c7beta- cis
ALPHABETA
Calculate the alpha beta CV More details
...
ATOMS1
the atoms involved for each of the torsions you wish to calculate
=24,4,3,1
REFERENCE1
the reference values for each of the torsional angles
=-2.09
ATOMS2
the atoms involved for each of the torsions you wish to calculate
=1,32,31,29
REFERENCE2
the reference values for each of the torsional angles
=-2.09
ATOMS3
the atoms involved for each of the torsions you wish to calculate
=29,55,54,52
REFERENCE3
the reference values for each of the torsional angles
=-2.09
ATOMS4
the atoms involved for each of the torsions you wish to calculate
=52,78,77,75
REFERENCE4
the reference values for each of the torsional angles
=-2.09
ATOMS5
the atoms involved for each of the torsions you wish to calculate
=75,101,100,98
REFERENCE5
the reference values for each of the torsional angles
=-2.09
ATOMS6
the atoms involved for each of the torsions you wish to calculate
=98,124,123,121
REFERENCE6
the reference values for each of the torsional angles
=-2.09
ATOMS7
the atoms involved for each of the torsions you wish to calculate
=121,147,146,144
REFERENCE7
the reference values for each of the torsional angles
=-2.09
ATOMS8
the atoms involved for each of the torsions you wish to calculate
=144,170,169,167
REFERENCE8
the reference values for each of the torsional angles
=-2.09
ATOMS9
the atoms involved for each of the torsions you wish to calculate
=167,193,192,190
REFERENCE9
the reference values for each of the torsional angles
=-2.09
ATOMS10
the atoms involved for each of the torsions you wish to calculate
=190,216,215,213
REFERENCE10
the reference values for each of the torsional angles
=-2.09
ATOMS11
the atoms involved for each of the torsions you wish to calculate
=213,239,238,236
REFERENCE11
the reference values for each of the torsional angles
=-2.09
ATOMS12
the atoms involved for each of the torsions you wish to calculate
=26,24,4,3
REFERENCE12
the reference values for each of the torsional angles
=1.3
ATOMS13
the atoms involved for each of the torsions you wish to calculate
=3,1,32,31
REFERENCE13
the reference values for each of the torsional angles
=1.3
ATOMS14
the atoms involved for each of the torsions you wish to calculate
=31,29,55,54
REFERENCE14
the reference values for each of the torsional angles
=1.3
ATOMS15
the atoms involved for each of the torsions you wish to calculate
=54,52,78,77
REFERENCE15
the reference values for each of the torsional angles
=1.3
ATOMS16
the atoms involved for each of the torsions you wish to calculate
=77,75,101,100
REFERENCE16
the reference values for each of the torsional angles
=1.3
ATOMS17
the atoms involved for each of the torsions you wish to calculate
=100,98,124,123
REFERENCE17
the reference values for each of the torsional angles
=1.3
ATOMS18
the atoms involved for each of the torsions you wish to calculate
=123,121,147,146
REFERENCE18
the reference values for each of the torsional angles
=1.3
ATOMS19
the atoms involved for each of the torsions you wish to calculate
=146,144,170,169
REFERENCE19
the reference values for each of the torsional angles
=1.3
ATOMS20
the atoms involved for each of the torsions you wish to calculate
=169,167,193,192
REFERENCE20
the reference values for each of the torsional angles
=1.3
ATOMS21
the atoms involved for each of the torsions you wish to calculate
=192,190,216,215
REFERENCE21
the reference values for each of the torsional angles
=1.3
ATOMS22
the atoms involved for each of the torsions you wish to calculate
=215,213,239,238
REFERENCE22
the reference values for each of the torsional angles
=1.3
ATOMS23
the atoms involved for each of the torsions you wish to calculate
=238,236,261,259
REFERENCE23
the reference values for each of the torsional angles
=1.3
ATOMS24
the atoms involved for each of the torsions you wish to calculate
=4,3,1,32
REFERENCE24
the reference values for each of the torsional angles
=0
ATOMS25
the atoms involved for each of the torsions you wish to calculate
=32,31,29,55
REFERENCE25
the reference values for each of the torsional angles
=0
ATOMS26
the atoms involved for each of the torsions you wish to calculate
=55,54,52,78
REFERENCE26
the reference values for each of the torsional angles
=0
ATOMS27
the atoms involved for each of the torsions you wish to calculate
=78,77,75,101
REFERENCE27
the reference values for each of the torsional angles
=0
ATOMS28
the atoms involved for each of the torsions you wish to calculate
=101,100,98,124
REFERENCE28
the reference values for each of the torsional angles
=0
ATOMS29
the atoms involved for each of the torsions you wish to calculate
=124,123,121,147
REFERENCE29
the reference values for each of the torsional angles
=0
ATOMS30
the atoms involved for each of the torsions you wish to calculate
=147,146,144,170
REFERENCE30
the reference values for each of the torsional angles
=0
ATOMS31
the atoms involved for each of the torsions you wish to calculate
=170,169,167,193
REFERENCE31
the reference values for each of the torsional angles
=0
ATOMS32
the atoms involved for each of the torsions you wish to calculate
=193,192,190,216
REFERENCE32
the reference values for each of the torsional angles
=0
ATOMS33
the atoms involved for each of the torsions you wish to calculate
=216,215,213,239
REFERENCE33
the reference values for each of the torsional angles
=0
ATOMS34
the atoms involved for each of the torsions you wish to calculate
=239,238,236,261
REFERENCE34
the reference values for each of the torsional angles
=0
LABEL
a label for the action so that its output can be referenced in the input to other actions
=c7beta_minus ... ALPHABETA
#c7beta+ trans
ALPHABETA
Calculate the alpha beta CV More details
...
ATOMS1
the atoms involved for each of the torsions you wish to calculate
=24,4,3,1
REFERENCE1
the reference values for each of the torsional angles
=-2.09
ATOMS2
the atoms involved for each of the torsions you wish to calculate
=1,32,31,29
REFERENCE2
the reference values for each of the torsional angles
=-2.09
ATOMS3
the atoms involved for each of the torsions you wish to calculate
=29,55,54,52
REFERENCE3
the reference values for each of the torsional angles
=-2.09
ATOMS4
the atoms involved for each of the torsions you wish to calculate
=52,78,77,75
REFERENCE4
the reference values for each of the torsional angles
=-2.09
ATOMS5
the atoms involved for each of the torsions you wish to calculate
=75,101,100,98
REFERENCE5
the reference values for each of the torsional angles
=-2.09
ATOMS6
the atoms involved for each of the torsions you wish to calculate
=98,124,123,121
REFERENCE6
the reference values for each of the torsional angles
=-2.09
ATOMS7
the atoms involved for each of the torsions you wish to calculate
=121,147,146,144
REFERENCE7
the reference values for each of the torsional angles
=-2.09
ATOMS8
the atoms involved for each of the torsions you wish to calculate
=144,170,169,167
REFERENCE8
the reference values for each of the torsional angles
=-2.09
ATOMS9
the atoms involved for each of the torsions you wish to calculate
=167,193,192,190
REFERENCE9
the reference values for each of the torsional angles
=-2.09
ATOMS10
the atoms involved for each of the torsions you wish to calculate
=190,216,215,213
REFERENCE10
the reference values for each of the torsional angles
=-2.09
ATOMS11
the atoms involved for each of the torsions you wish to calculate
=213,239,238,236
REFERENCE11
the reference values for each of the torsional angles
=-2.09
ATOMS12
the atoms involved for each of the torsions you wish to calculate
=26,24,4,3
REFERENCE12
the reference values for each of the torsional angles
=1.3
ATOMS13
the atoms involved for each of the torsions you wish to calculate
=3,1,32,31
REFERENCE13
the reference values for each of the torsional angles
=1.3
ATOMS14
the atoms involved for each of the torsions you wish to calculate
=31,29,55,54
REFERENCE14
the reference values for each of the torsional angles
=1.3
ATOMS15
the atoms involved for each of the torsions you wish to calculate
=54,52,78,77
REFERENCE15
the reference values for each of the torsional angles
=1.3
ATOMS16
the atoms involved for each of the torsions you wish to calculate
=77,75,101,100
REFERENCE16
the reference values for each of the torsional angles
=1.3
ATOMS17
the atoms involved for each of the torsions you wish to calculate
=100,98,124,123
REFERENCE17
the reference values for each of the torsional angles
=1.3
ATOMS18
the atoms involved for each of the torsions you wish to calculate
=123,121,147,146
REFERENCE18
the reference values for each of the torsional angles
=1.3
ATOMS19
the atoms involved for each of the torsions you wish to calculate
=146,144,170,169
REFERENCE19
the reference values for each of the torsional angles
=1.3
ATOMS20
the atoms involved for each of the torsions you wish to calculate
=169,167,193,192
REFERENCE20
the reference values for each of the torsional angles
=1.3
ATOMS21
the atoms involved for each of the torsions you wish to calculate
=192,190,216,215
REFERENCE21
the reference values for each of the torsional angles
=1.3
ATOMS22
the atoms involved for each of the torsions you wish to calculate
=215,213,239,238
REFERENCE22
the reference values for each of the torsional angles
=1.3
ATOMS23
the atoms involved for each of the torsions you wish to calculate
=238,236,261,259
REFERENCE23
the reference values for each of the torsional angles
=1.3
ATOMS24
the atoms involved for each of the torsions you wish to calculate
=4,3,1,32
REFERENCE24
the reference values for each of the torsional angles
=3.14
ATOMS25
the atoms involved for each of the torsions you wish to calculate
=32,31,29,55
REFERENCE25
the reference values for each of the torsional angles
=3.14
ATOMS26
the atoms involved for each of the torsions you wish to calculate
=55,54,52,78
REFERENCE26
the reference values for each of the torsional angles
=3.14
ATOMS27
the atoms involved for each of the torsions you wish to calculate
=78,77,75,101
REFERENCE27
the reference values for each of the torsional angles
=3.14
ATOMS28
the atoms involved for each of the torsions you wish to calculate
=101,100,98,124
REFERENCE28
the reference values for each of the torsional angles
=3.14
ATOMS29
the atoms involved for each of the torsions you wish to calculate
=124,123,121,147
REFERENCE29
the reference values for each of the torsional angles
=3.14
ATOMS30
the atoms involved for each of the torsions you wish to calculate
=147,146,144,170
REFERENCE30
the reference values for each of the torsional angles
=3.14
ATOMS31
the atoms involved for each of the torsions you wish to calculate
=170,169,167,193
REFERENCE31
the reference values for each of the torsional angles
=3.14
ATOMS32
the atoms involved for each of the torsions you wish to calculate
=193,192,190,216
REFERENCE32
the reference values for each of the torsional angles
=3.14
ATOMS33
the atoms involved for each of the torsions you wish to calculate
=216,215,213,239
REFERENCE33
the reference values for each of the torsional angles
=3.14
ATOMS34
the atoms involved for each of the torsions you wish to calculate
=239,238,236,261
REFERENCE34
the reference values for each of the torsional angles
=3.14
LABEL
a label for the action so that its output can be referenced in the input to other actions
=c7beta_minus_trans ... ALPHABETA