Project ID: plumID:24.003
Source: plumed_nest/diff_sequences/CH22/plumed.dat
Originally used with PLUMED version: 2.8-mod
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
=1-636
The WHOLEMOLECULES action with label calculates something =1-304 =p1
The COM action with label p1 calculates something =1-30 =r1
The COM action with label r1 calculates something =280-304 =r14
The COM action with label r14 calculates something =339-636 =p2
The COM action with label p2 calculates something =339-364 =r16
The COM action with label r16 calculates something =614-636 =r30
The COM action with label r30 calculates something =p1,p2 =d
The DISTANCE action with label d calculates the following quantities: Quantity | Description |
d.value | the DISTANCE between this pair of atoms |
=r14,r16 =in
The DISTANCE action with label in calculates the following quantities: Quantity | Description |
in.value | the DISTANCE between this pair of atoms |
=r1,r30 =FRET
The DISTANCE action with label FRET calculates the following quantities: Quantity | Description |
FRET.value | the DISTANCE between this pair of atoms |
=RADIUS =1,31,64,89,122,148,177,202,225,251,280,339,365,398,423,456,482,511,536,559,585,614 =rg
The GYRATION action with label rg calculates something =RADIUS =1,31,64,89,122,148,177,202,225,251,280 =rg_1
The GYRATION action with label rg_1 calculates something =RADIUS =339,365,398,423,456,482,511,536,559,585,614 =rg_2
The GYRATION action with label rg_2 calculates something =31-63 =H1
The COM action with label H1 calculates something =89-121 =H2
The COM action with label H2 calculates something =148-176 =H3
The COM action with label H3 calculates something =202-224 =H4
The COM action with label H4 calculates something =251-279 =H5
The COM action with label H5 calculates something =365-397 =H1_2
The COM action with label H1_2 calculates something =423-455 =H2_2
The COM action with label H2_2 calculates something =482-510 =H3_2
The COM action with label H3_2 calculates something =536-558 =H4_2
The COM action with label H4_2 calculates something =585-613 =H5_2
The COM action with label H5_2 calculates something =H1,H2,H3,H4,H5 =H1_2,H2_2,H3_2,H4_2,H5_2 =1.9 =2.2 =100 =20 =80 =COORD
The COORDINATION action with label COORD calculates the following quantities: Quantity | Description |
COORD.value | the value of the coordination |
=H1,H2,H3,H4,H5 =H5_2,H4_2,H3_2,H2_2,H1_2 =1.9 =2.2 =100 =20 =80 =PAIR
The COORDINATION action with label PAIR calculates the following quantities: Quantity | Description |
PAIR.value | the value of the coordination |
=dihedral.dat
# INCLUDE FILE=dihedral.dat
The INCLUDE action with label dihedral.dat calculates somethingphi1: =29,31,59,62
The TORSION action with label phi1 calculates the following quantities: Quantity | Description |
phi1.value | the TORSION involving these atoms |
phi2: =62,64,84,87
The TORSION action with label phi2 calculates the following quantities: Quantity | Description |
phi2.value | the TORSION involving these atoms |
phi3: =87,89,117,120
The TORSION action with label phi3 calculates the following quantities: Quantity | Description |
phi3.value | the TORSION involving these atoms |
phi4: =120,122,143,146
The TORSION action with label phi4 calculates the following quantities: Quantity | Description |
phi4.value | the TORSION involving these atoms |
phi5: =146,148,172,175
The TORSION action with label phi5 calculates the following quantities: Quantity | Description |
phi5.value | the TORSION involving these atoms |
phi6: =175,177,197,200
The TORSION action with label phi6 calculates the following quantities: Quantity | Description |
phi6.value | the TORSION involving these atoms |
phi7: =200,202,220,223
The TORSION action with label phi7 calculates the following quantities: Quantity | Description |
phi7.value | the TORSION involving these atoms |
phi8: =223,225,246,249
The TORSION action with label phi8 calculates the following quantities: Quantity | Description |
phi8.value | the TORSION involving these atoms |
phi9: =249,251,275,278
The TORSION action with label phi9 calculates the following quantities: Quantity | Description |
phi9.value | the TORSION involving these atoms |
phi10: =278,280,300,303
The TORSION action with label phi10 calculates the following quantities: Quantity | Description |
phi10.value | the TORSION involving these atoms |
phi13: =363,365,393,396
The TORSION action with label phi13 calculates the following quantities: Quantity | Description |
phi13.value | the TORSION involving these atoms |
phi14: =396,398,418,421
The TORSION action with label phi14 calculates the following quantities: Quantity | Description |
phi14.value | the TORSION involving these atoms |
phi15: =421,423,451,454
The TORSION action with label phi15 calculates the following quantities: Quantity | Description |
phi15.value | the TORSION involving these atoms |
phi16: =454,456,477,480
The TORSION action with label phi16 calculates the following quantities: Quantity | Description |
phi16.value | the TORSION involving these atoms |
phi17: =480,482,506,509
The TORSION action with label phi17 calculates the following quantities: Quantity | Description |
phi17.value | the TORSION involving these atoms |
phi18: =509,511,531,534
The TORSION action with label phi18 calculates the following quantities: Quantity | Description |
phi18.value | the TORSION involving these atoms |
phi19: =534,536,554,557
The TORSION action with label phi19 calculates the following quantities: Quantity | Description |
phi19.value | the TORSION involving these atoms |
phi20: =557,559,580,583
The TORSION action with label phi20 calculates the following quantities: Quantity | Description |
phi20.value | the TORSION involving these atoms |
phi21: =583,585,609,612
The TORSION action with label phi21 calculates the following quantities: Quantity | Description |
phi21.value | the TORSION involving these atoms |
phi22: =612,614,629,632
The TORSION action with label phi22 calculates the following quantities: Quantity | Description |
phi22.value | the TORSION involving these atoms |
psi0: =1,26,29,31
The TORSION action with label psi0 calculates the following quantities: Quantity | Description |
psi0.value | the TORSION involving these atoms |
psi1: =31,59,62,64
The TORSION action with label psi1 calculates the following quantities: Quantity | Description |
psi1.value | the TORSION involving these atoms |
psi2: =64,84,87,89
The TORSION action with label psi2 calculates the following quantities: Quantity | Description |
psi2.value | the TORSION involving these atoms |
psi3: =89,117,120,122
The TORSION action with label psi3 calculates the following quantities: Quantity | Description |
psi3.value | the TORSION involving these atoms |
psi4: =122,143,146,148
The TORSION action with label psi4 calculates the following quantities: Quantity | Description |
psi4.value | the TORSION involving these atoms |
psi5: =148,172,175,177
The TORSION action with label psi5 calculates the following quantities: Quantity | Description |
psi5.value | the TORSION involving these atoms |
psi6: =177,197,200,202
The TORSION action with label psi6 calculates the following quantities: Quantity | Description |
psi6.value | the TORSION involving these atoms |
psi7: =202,220,223,225
The TORSION action with label psi7 calculates the following quantities: Quantity | Description |
psi7.value | the TORSION involving these atoms |
psi8: =225,246,249,251
The TORSION action with label psi8 calculates the following quantities: Quantity | Description |
psi8.value | the TORSION involving these atoms |
psi9: =251,275,278,280
The TORSION action with label psi9 calculates the following quantities: Quantity | Description |
psi9.value | the TORSION involving these atoms |
psi12: =339,360,363,365
The TORSION action with label psi12 calculates the following quantities: Quantity | Description |
psi12.value | the TORSION involving these atoms |
psi13: =365,393,396,398
The TORSION action with label psi13 calculates the following quantities: Quantity | Description |
psi13.value | the TORSION involving these atoms |
psi14: =398,418,421,423
The TORSION action with label psi14 calculates the following quantities: Quantity | Description |
psi14.value | the TORSION involving these atoms |
psi15: =423,451,454,456
The TORSION action with label psi15 calculates the following quantities: Quantity | Description |
psi15.value | the TORSION involving these atoms |
psi16: =456,477,480,482
The TORSION action with label psi16 calculates the following quantities: Quantity | Description |
psi16.value | the TORSION involving these atoms |
psi17: =482,506,509,511
The TORSION action with label psi17 calculates the following quantities: Quantity | Description |
psi17.value | the TORSION involving these atoms |
psi18: =511,531,534,536
The TORSION action with label psi18 calculates the following quantities: Quantity | Description |
psi18.value | the TORSION involving these atoms |
psi19: =536,554,557,559
The TORSION action with label psi19 calculates the following quantities: Quantity | Description |
psi19.value | the TORSION involving these atoms |
psi20: =559,580,583,585
The TORSION action with label psi20 calculates the following quantities: Quantity | Description |
psi20.value | the TORSION involving these atoms |
psi21: =585,609,612,614
The TORSION action with label psi21 calculates the following quantities: Quantity | Description |
psi21.value | the TORSION involving these atoms |
omega1: =26,29,31,59
The TORSION action with label omega1 calculates the following quantities: Quantity | Description |
omega1.value | the TORSION involving these atoms |
omega2: =59,62,64,84
The TORSION action with label omega2 calculates the following quantities: Quantity | Description |
omega2.value | the TORSION involving these atoms |
omega3: =84,87,89,117
The TORSION action with label omega3 calculates the following quantities: Quantity | Description |
omega3.value | the TORSION involving these atoms |
omega4: =117,120,122,143
The TORSION action with label omega4 calculates the following quantities: Quantity | Description |
omega4.value | the TORSION involving these atoms |
omega5: =143,146,148,172
The TORSION action with label omega5 calculates the following quantities: Quantity | Description |
omega5.value | the TORSION involving these atoms |
omega6: =172,175,177,197
The TORSION action with label omega6 calculates the following quantities: Quantity | Description |
omega6.value | the TORSION involving these atoms |
omega7: =197,200,202,220
The TORSION action with label omega7 calculates the following quantities: Quantity | Description |
omega7.value | the TORSION involving these atoms |
omega8: =220,223,225,246
The TORSION action with label omega8 calculates the following quantities: Quantity | Description |
omega8.value | the TORSION involving these atoms |
omega9: =246,249,251,275
The TORSION action with label omega9 calculates the following quantities: Quantity | Description |
omega9.value | the TORSION involving these atoms |
omega10: =275,278,280,300
The TORSION action with label omega10 calculates the following quantities: Quantity | Description |
omega10.value | the TORSION involving these atoms |
omega13: =360,363,365,393
The TORSION action with label omega13 calculates the following quantities: Quantity | Description |
omega13.value | the TORSION involving these atoms |
omega14: =393,396,398,418
The TORSION action with label omega14 calculates the following quantities: Quantity | Description |
omega14.value | the TORSION involving these atoms |
omega15: =418,421,423,451
The TORSION action with label omega15 calculates the following quantities: Quantity | Description |
omega15.value | the TORSION involving these atoms |
omega16: =451,454,456,477
The TORSION action with label omega16 calculates the following quantities: Quantity | Description |
omega16.value | the TORSION involving these atoms |
omega17: =477,480,482,506
The TORSION action with label omega17 calculates the following quantities: Quantity | Description |
omega17.value | the TORSION involving these atoms |
omega18: =506,509,511,531
The TORSION action with label omega18 calculates the following quantities: Quantity | Description |
omega18.value | the TORSION involving these atoms |
omega19: =531,534,536,554
The TORSION action with label omega19 calculates the following quantities: Quantity | Description |
omega19.value | the TORSION involving these atoms |
omega20: =554,557,559,580
The TORSION action with label omega20 calculates the following quantities: Quantity | Description |
omega20.value | the TORSION involving these atoms |
omega21: =580,583,585,609
The TORSION action with label omega21 calculates the following quantities: Quantity | Description |
omega21.value | the TORSION involving these atoms |
omega22: =609,612,614,629
The TORSION action with label omega22 calculates the following quantities: Quantity | Description |
omega22.value | the TORSION involving these atoms |
chi1: =59,31,32,35
The TORSION action with label chi1 calculates the following quantities: Quantity | Description |
chi1.value | the TORSION involving these atoms |
chi2: =84,64,65,71
The TORSION action with label chi2 calculates the following quantities: Quantity | Description |
chi2.value | the TORSION involving these atoms |
chi3: =117,89,90,93
The TORSION action with label chi3 calculates the following quantities: Quantity | Description |
chi3.value | the TORSION involving these atoms |
chi4: =143,122,123,129
The TORSION action with label chi4 calculates the following quantities: Quantity | Description |
chi4.value | the TORSION involving these atoms |
chi5: =172,148,149,155
The TORSION action with label chi5 calculates the following quantities: Quantity | Description |
chi5.value | the TORSION involving these atoms |
chi6: =197,177,178,184
The TORSION action with label chi6 calculates the following quantities: Quantity | Description |
chi6.value | the TORSION involving these atoms |
chi7: =220,202,203,209
The TORSION action with label chi7 calculates the following quantities: Quantity | Description |
chi7.value | the TORSION involving these atoms |
chi8: =246,225,226,232
The TORSION action with label chi8 calculates the following quantities: Quantity | Description |
chi8.value | the TORSION involving these atoms |
chi9: =275,251,252,258
The TORSION action with label chi9 calculates the following quantities: Quantity | Description |
chi9.value | the TORSION involving these atoms |
chi10: =300,280,281,287
The TORSION action with label chi10 calculates the following quantities: Quantity | Description |
chi10.value | the TORSION involving these atoms |
chi12: =360,339,340,346
The TORSION action with label chi12 calculates the following quantities: Quantity | Description |
chi12.value | the TORSION involving these atoms |
chi13: =393,365,366,369
The TORSION action with label chi13 calculates the following quantities: Quantity | Description |
chi13.value | the TORSION involving these atoms |
chi14: =418,398,399,405
The TORSION action with label chi14 calculates the following quantities: Quantity | Description |
chi14.value | the TORSION involving these atoms |
chi15: =451,423,424,427
The TORSION action with label chi15 calculates the following quantities: Quantity | Description |
chi15.value | the TORSION involving these atoms |
chi16: =477,456,457,463
The TORSION action with label chi16 calculates the following quantities: Quantity | Description |
chi16.value | the TORSION involving these atoms |
chi17: =506,482,483,489
The TORSION action with label chi17 calculates the following quantities: Quantity | Description |
chi17.value | the TORSION involving these atoms |
chi18: =531,511,512,518
The TORSION action with label chi18 calculates the following quantities: Quantity | Description |
chi18.value | the TORSION involving these atoms |
chi19: =554,536,537,543
The TORSION action with label chi19 calculates the following quantities: Quantity | Description |
chi19.value | the TORSION involving these atoms |
chi20: =580,559,560,566
The TORSION action with label chi20 calculates the following quantities: Quantity | Description |
chi20.value | the TORSION involving these atoms |
chi21: =609,585,586,592
The TORSION action with label chi21 calculates the following quantities: Quantity | Description |
chi21.value | the TORSION involving these atoms |
chia: =31,32,35,37
The TORSION action with label chia calculates the following quantities: Quantity | Description |
chia.value | the TORSION involving these atoms |
chib: =89,90,93,95
The TORSION action with label chib calculates the following quantities: Quantity | Description |
chib.value | the TORSION involving these atoms |
chic: =148,149,155,157
The TORSION action with label chic calculates the following quantities: Quantity | Description |
chic.value | the TORSION involving these atoms |
chid: =202,203,209,210
The TORSION action with label chid calculates the following quantities: Quantity | Description |
chid.value | the TORSION involving these atoms |
chie: =251,252,258,260
The TORSION action with label chie calculates the following quantities: Quantity | Description |
chie.value | the TORSION involving these atoms |
chif: =365,366,369,371
The TORSION action with label chif calculates the following quantities: Quantity | Description |
chif.value | the TORSION involving these atoms |
chig: =423,424,427,429
The TORSION action with label chig calculates the following quantities: Quantity | Description |
chig.value | the TORSION involving these atoms |
chih: =482,483,489,491
The TORSION action with label chih calculates the following quantities: Quantity | Description |
chih.value | the TORSION involving these atoms |
chii: =536,537,543,544
The TORSION action with label chii calculates the following quantities: Quantity | Description |
chii.value | the TORSION involving these atoms |
chij: =585,586,592,594
The TORSION action with label chij calculates the following quantities: Quantity | Description |
chij.value | the TORSION involving these atoms |
chiaa: =32,35,37,38
The TORSION action with label chiaa calculates the following quantities: Quantity | Description |
chiaa.value | the TORSION involving these atoms |
chiba: =90,93,95,96
The TORSION action with label chiba calculates the following quantities: Quantity | Description |
chiba.value | the TORSION involving these atoms |
chifa: =366,369,371,372
The TORSION action with label chifa calculates the following quantities: Quantity | Description |
chifa.value | the TORSION involving these atoms |
chiga: =424,427,429,430
# --- End of included input ---
The TORSION action with label chiga calculates the following quantities: Quantity | Description |
chiga.value | the TORSION involving these atoms |
=1000 =COLVAR