Project ID: plumID:24.003
Source: plumed_nest/diff_sequences/AH30/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
=1-628
The WHOLEMOLECULES action with label calculates something =1-300 =p1
The COM action with label p1 calculates something =1-30 =r1
The COM action with label r1 calculates something =287-300 =r14
The COM action with label r14 calculates something =335-628 =p2
The COM action with label p2 calculates something =335-349 =r16
The COM action with label r16 calculates something =606-628 =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 =1,31,64,78,92,125,140,156,182,196,210,230,245,261,287,335,350,383,397,411,444,459,475,501,515,529,549,564,580,606 =rg
The GYRATION action with label rg calculates something =RADIUS =1,31,64,78,92,125,140,156,182,196,210,230,245,261,287 =rg_1
The GYRATION action with label rg_1 calculates something =RADIUS =335,350,383,397,411,444,459,475,501,515,529,549,564,580,606 =rg_2
The GYRATION action with label rg_2 calculates something =31-63 =H1
The COM action with label H1 calculates something =92-124 =H2
The COM action with label H2 calculates something =156-181 =H3
The COM action with label H3 calculates something =210-229 =H4
The COM action with label H4 calculates something =261-286 =H5
The COM action with label H5 calculates something =350-382 =H1_2
The COM action with label H1_2 calculates something =411-443 =H2_2
The COM action with label H2_2 calculates something =475-500 =H3_2
The COM action with label H3_2 calculates something =529-548 =H4_2
The COM action with label H4_2 calculates something =580-605 =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: =62,64,73,76
The TORSION action with label phi2 calculates the following quantities: Quantity | Description |
phi2.value | the TORSION involving these atoms |
phi3: =76,78,87,90
The TORSION action with label phi3 calculates the following quantities: Quantity | Description |
phi3.value | the TORSION involving these atoms |
phi4: =90,92,120,123
The TORSION action with label phi4 calculates the following quantities: Quantity | Description |
phi4.value | the TORSION involving these atoms |
phi5: =123,125,135,138
The TORSION action with label phi5 calculates the following quantities: Quantity | Description |
phi5.value | the TORSION involving these atoms |
phi6: =138,140,151,154
The TORSION action with label phi6 calculates the following quantities: Quantity | Description |
phi6.value | the TORSION involving these atoms |
phi7: =154,156,177,180
The TORSION action with label phi7 calculates the following quantities: Quantity | Description |
phi7.value | the TORSION involving these atoms |
phi8: =180,182,191,194
The TORSION action with label phi8 calculates the following quantities: Quantity | Description |
phi8.value | the TORSION involving these atoms |
phi9: =194,196,205,208
The TORSION action with label phi9 calculates the following quantities: Quantity | Description |
phi9.value | the TORSION involving these atoms |
phi10: =208,210,225,228
The TORSION action with label phi10 calculates the following quantities: Quantity | Description |
phi10.value | the TORSION involving these atoms |
phi11: =228,230,240,243
The TORSION action with label phi11 calculates the following quantities: Quantity | Description |
phi11.value | the TORSION involving these atoms |
phi12: =243,245,256,259
The TORSION action with label phi12 calculates the following quantities: Quantity | Description |
phi12.value | the TORSION involving these atoms |
phi13: =259,261,282,285
The TORSION action with label phi13 calculates the following quantities: Quantity | Description |
phi13.value | the TORSION involving these atoms |
phi14: =285,287,296,299
The TORSION action with label phi14 calculates the following quantities: Quantity | Description |
phi14.value | the TORSION involving these atoms |
phi17: =348,350,378,381
The TORSION action with label phi17 calculates the following quantities: Quantity | Description |
phi17.value | the TORSION involving these atoms |
phi18: =381,383,392,395
The TORSION action with label phi18 calculates the following quantities: Quantity | Description |
phi18.value | the TORSION involving these atoms |
phi19: =395,397,406,409
The TORSION action with label phi19 calculates the following quantities: Quantity | Description |
phi19.value | the TORSION involving these atoms |
phi20: =409,411,439,442
The TORSION action with label phi20 calculates the following quantities: Quantity | Description |
phi20.value | the TORSION involving these atoms |
phi21: =442,444,454,457
The TORSION action with label phi21 calculates the following quantities: Quantity | Description |
phi21.value | the TORSION involving these atoms |
phi22: =457,459,470,473
The TORSION action with label phi22 calculates the following quantities: Quantity | Description |
phi22.value | the TORSION involving these atoms |
phi23: =473,475,496,499
The TORSION action with label phi23 calculates the following quantities: Quantity | Description |
phi23.value | the TORSION involving these atoms |
phi24: =499,501,510,513
The TORSION action with label phi24 calculates the following quantities: Quantity | Description |
phi24.value | the TORSION involving these atoms |
phi25: =513,515,524,527
The TORSION action with label phi25 calculates the following quantities: Quantity | Description |
phi25.value | the TORSION involving these atoms |
phi26: =527,529,544,547
The TORSION action with label phi26 calculates the following quantities: Quantity | Description |
phi26.value | the TORSION involving these atoms |
phi27: =547,549,559,562
The TORSION action with label phi27 calculates the following quantities: Quantity | Description |
phi27.value | the TORSION involving these atoms |
phi28: =562,564,575,578
The TORSION action with label phi28 calculates the following quantities: Quantity | Description |
phi28.value | the TORSION involving these atoms |
phi29: =578,580,601,604
The TORSION action with label phi29 calculates the following quantities: Quantity | Description |
phi29.value | the TORSION involving these atoms |
phi30: =604,606,621,624
The TORSION action with label phi30 calculates the following quantities: Quantity | Description |
phi30.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: =64,73,76,78
The TORSION action with label psi2 calculates the following quantities: Quantity | Description |
psi2.value | the TORSION involving these atoms |
psi3: =78,87,90,92
The TORSION action with label psi3 calculates the following quantities: Quantity | Description |
psi3.value | the TORSION involving these atoms |
psi4: =92,120,123,125
The TORSION action with label psi4 calculates the following quantities: Quantity | Description |
psi4.value | the TORSION involving these atoms |
psi5: =125,135,138,140
The TORSION action with label psi5 calculates the following quantities: Quantity | Description |
psi5.value | the TORSION involving these atoms |
psi6: =140,151,154,156
The TORSION action with label psi6 calculates the following quantities: Quantity | Description |
psi6.value | the TORSION involving these atoms |
psi7: =156,177,180,182
The TORSION action with label psi7 calculates the following quantities: Quantity | Description |
psi7.value | the TORSION involving these atoms |
psi8: =182,191,194,196
The TORSION action with label psi8 calculates the following quantities: Quantity | Description |
psi8.value | the TORSION involving these atoms |
psi9: =196,205,208,210
The TORSION action with label psi9 calculates the following quantities: Quantity | Description |
psi9.value | the TORSION involving these atoms |
psi10: =210,225,228,230
The TORSION action with label psi10 calculates the following quantities: Quantity | Description |
psi10.value | the TORSION involving these atoms |
psi11: =230,240,243,245
The TORSION action with label psi11 calculates the following quantities: Quantity | Description |
psi11.value | the TORSION involving these atoms |
psi12: =245,256,259,261
The TORSION action with label psi12 calculates the following quantities: Quantity | Description |
psi12.value | the TORSION involving these atoms |
psi13: =261,282,285,287
The TORSION action with label psi13 calculates the following quantities: Quantity | Description |
psi13.value | the TORSION involving these atoms |
psi16: =335,345,348,350
The TORSION action with label psi16 calculates the following quantities: Quantity | Description |
psi16.value | the TORSION involving these atoms |
psi17: =350,378,381,383
The TORSION action with label psi17 calculates the following quantities: Quantity | Description |
psi17.value | the TORSION involving these atoms |
psi18: =383,392,395,397
The TORSION action with label psi18 calculates the following quantities: Quantity | Description |
psi18.value | the TORSION involving these atoms |
psi19: =397,406,409,411
The TORSION action with label psi19 calculates the following quantities: Quantity | Description |
psi19.value | the TORSION involving these atoms |
psi20: =411,439,442,444
The TORSION action with label psi20 calculates the following quantities: Quantity | Description |
psi20.value | the TORSION involving these atoms |
psi21: =444,454,457,459
The TORSION action with label psi21 calculates the following quantities: Quantity | Description |
psi21.value | the TORSION involving these atoms |
psi22: =459,470,473,475
The TORSION action with label psi22 calculates the following quantities: Quantity | Description |
psi22.value | the TORSION involving these atoms |
psi23: =475,496,499,501
The TORSION action with label psi23 calculates the following quantities: Quantity | Description |
psi23.value | the TORSION involving these atoms |
psi24: =501,510,513,515
The TORSION action with label psi24 calculates the following quantities: Quantity | Description |
psi24.value | the TORSION involving these atoms |
psi25: =515,524,527,529
The TORSION action with label psi25 calculates the following quantities: Quantity | Description |
psi25.value | the TORSION involving these atoms |
psi26: =529,544,547,549
The TORSION action with label psi26 calculates the following quantities: Quantity | Description |
psi26.value | the TORSION involving these atoms |
psi27: =549,559,562,564
The TORSION action with label psi27 calculates the following quantities: Quantity | Description |
psi27.value | the TORSION involving these atoms |
psi28: =564,575,578,580
The TORSION action with label psi28 calculates the following quantities: Quantity | Description |
psi28.value | the TORSION involving these atoms |
psi29: =580,601,604,606
The TORSION action with label psi29 calculates the following quantities: Quantity | Description |
psi29.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: =59,62,64,73
The TORSION action with label omega2 calculates the following quantities: Quantity | Description |
omega2.value | the TORSION involving these atoms |
omega3: =73,76,78,87
The TORSION action with label omega3 calculates the following quantities: Quantity | Description |
omega3.value | the TORSION involving these atoms |
omega4: =87,90,92,120
The TORSION action with label omega4 calculates the following quantities: Quantity | Description |
omega4.value | the TORSION involving these atoms |
omega5: =120,123,125,135
The TORSION action with label omega5 calculates the following quantities: Quantity | Description |
omega5.value | the TORSION involving these atoms |
omega6: =135,138,140,151
The TORSION action with label omega6 calculates the following quantities: Quantity | Description |
omega6.value | the TORSION involving these atoms |
omega7: =151,154,156,177
The TORSION action with label omega7 calculates the following quantities: Quantity | Description |
omega7.value | the TORSION involving these atoms |
omega8: =177,180,182,191
The TORSION action with label omega8 calculates the following quantities: Quantity | Description |
omega8.value | the TORSION involving these atoms |
omega9: =191,194,196,205
The TORSION action with label omega9 calculates the following quantities: Quantity | Description |
omega9.value | the TORSION involving these atoms |
omega10: =205,208,210,225
The TORSION action with label omega10 calculates the following quantities: Quantity | Description |
omega10.value | the TORSION involving these atoms |
omega11: =225,228,230,240
The TORSION action with label omega11 calculates the following quantities: Quantity | Description |
omega11.value | the TORSION involving these atoms |
omega12: =240,243,245,256
The TORSION action with label omega12 calculates the following quantities: Quantity | Description |
omega12.value | the TORSION involving these atoms |
omega13: =256,259,261,282
The TORSION action with label omega13 calculates the following quantities: Quantity | Description |
omega13.value | the TORSION involving these atoms |
omega14: =282,285,287,296
The TORSION action with label omega14 calculates the following quantities: Quantity | Description |
omega14.value | the TORSION involving these atoms |
omega17: =345,348,350,378
The TORSION action with label omega17 calculates the following quantities: Quantity | Description |
omega17.value | the TORSION involving these atoms |
omega18: =378,381,383,392
The TORSION action with label omega18 calculates the following quantities: Quantity | Description |
omega18.value | the TORSION involving these atoms |
omega19: =392,395,397,406
The TORSION action with label omega19 calculates the following quantities: Quantity | Description |
omega19.value | the TORSION involving these atoms |
omega20: =406,409,411,439
The TORSION action with label omega20 calculates the following quantities: Quantity | Description |
omega20.value | the TORSION involving these atoms |
omega21: =439,442,444,454
The TORSION action with label omega21 calculates the following quantities: Quantity | Description |
omega21.value | the TORSION involving these atoms |
omega22: =454,457,459,470
The TORSION action with label omega22 calculates the following quantities: Quantity | Description |
omega22.value | the TORSION involving these atoms |
omega23: =470,473,475,496
The TORSION action with label omega23 calculates the following quantities: Quantity | Description |
omega23.value | the TORSION involving these atoms |
omega24: =496,499,501,510
The TORSION action with label omega24 calculates the following quantities: Quantity | Description |
omega24.value | the TORSION involving these atoms |
omega25: =510,513,515,524
The TORSION action with label omega25 calculates the following quantities: Quantity | Description |
omega25.value | the TORSION involving these atoms |
omega26: =524,527,529,544
The TORSION action with label omega26 calculates the following quantities: Quantity | Description |
omega26.value | the TORSION involving these atoms |
omega27: =544,547,549,559
The TORSION action with label omega27 calculates the following quantities: Quantity | Description |
omega27.value | the TORSION involving these atoms |
omega28: =559,562,564,575
The TORSION action with label omega28 calculates the following quantities: Quantity | Description |
omega28.value | the TORSION involving these atoms |
omega29: =575,578,580,601
The TORSION action with label omega29 calculates the following quantities: Quantity | Description |
omega29.value | the TORSION involving these atoms |
omega30: =601,604,606,621
The TORSION action with label omega30 calculates the following quantities: Quantity | Description |
omega30.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: =73,64,65,68
The TORSION action with label chi2 calculates the following quantities: Quantity | Description |
chi2.value | the TORSION involving these atoms |
chi3: =87,78,79,82
The TORSION action with label chi3 calculates the following quantities: Quantity | Description |
chi3.value | the TORSION involving these atoms |
chi4: =120,92,93,96
The TORSION action with label chi4 calculates the following quantities: Quantity | Description |
chi4.value | the TORSION involving these atoms |
chi5: =135,125,126,129
The TORSION action with label chi5 calculates the following quantities: Quantity | Description |
chi5.value | the TORSION involving these atoms |
chi6: =151,140,141,144
The TORSION action with label chi6 calculates the following quantities: Quantity | Description |
chi6.value | the TORSION involving these atoms |
chi7: =177,156,157,160
The TORSION action with label chi7 calculates the following quantities: Quantity | Description |
chi7.value | the TORSION involving these atoms |
chi8: =191,182,183,186
The TORSION action with label chi8 calculates the following quantities: Quantity | Description |
chi8.value | the TORSION involving these atoms |
chi9: =205,196,197,200
The TORSION action with label chi9 calculates the following quantities: Quantity | Description |
chi9.value | the TORSION involving these atoms |
chi10: =225,210,211,214
The TORSION action with label chi10 calculates the following quantities: Quantity | Description |
chi10.value | the TORSION involving these atoms |
chi11: =240,230,231,234
The TORSION action with label chi11 calculates the following quantities: Quantity | Description |
chi11.value | the TORSION involving these atoms |
chi12: =256,245,246,249
The TORSION action with label chi12 calculates the following quantities: Quantity | Description |
chi12.value | the TORSION involving these atoms |
chi13: =282,261,262,265
The TORSION action with label chi13 calculates the following quantities: Quantity | Description |
chi13.value | the TORSION involving these atoms |
chi14: =296,287,288,291
The TORSION action with label chi14 calculates the following quantities: Quantity | Description |
chi14.value | the TORSION involving these atoms |
chi16: =345,335,336,339
The TORSION action with label chi16 calculates the following quantities: Quantity | Description |
chi16.value | the TORSION involving these atoms |
chi17: =378,350,351,354
The TORSION action with label chi17 calculates the following quantities: Quantity | Description |
chi17.value | the TORSION involving these atoms |
chi18: =392,383,384,387
The TORSION action with label chi18 calculates the following quantities: Quantity | Description |
chi18.value | the TORSION involving these atoms |
chi19: =406,397,398,401
The TORSION action with label chi19 calculates the following quantities: Quantity | Description |
chi19.value | the TORSION involving these atoms |
chi20: =439,411,412,415
The TORSION action with label chi20 calculates the following quantities: Quantity | Description |
chi20.value | the TORSION involving these atoms |
chi21: =454,444,445,448
The TORSION action with label chi21 calculates the following quantities: Quantity | Description |
chi21.value | the TORSION involving these atoms |
chi22: =470,459,460,463
The TORSION action with label chi22 calculates the following quantities: Quantity | Description |
chi22.value | the TORSION involving these atoms |
chi23: =496,475,476,479
The TORSION action with label chi23 calculates the following quantities: Quantity | Description |
chi23.value | the TORSION involving these atoms |
chi24: =510,501,502,505
The TORSION action with label chi24 calculates the following quantities: Quantity | Description |
chi24.value | the TORSION involving these atoms |
chi25: =524,515,516,519
The TORSION action with label chi25 calculates the following quantities: Quantity | Description |
chi25.value | the TORSION involving these atoms |
chi26: =544,529,530,533
The TORSION action with label chi26 calculates the following quantities: Quantity | Description |
chi26.value | the TORSION involving these atoms |
chi27: =559,549,550,553
The TORSION action with label chi27 calculates the following quantities: Quantity | Description |
chi27.value | the TORSION involving these atoms |
chi28: =575,564,565,568
The TORSION action with label chi28 calculates the following quantities: Quantity | Description |
chi28.value | the TORSION involving these atoms |
chi29: =601,580,581,584
The TORSION action with label chi29 calculates the following quantities: Quantity | Description |
chi29.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: =92,93,96,98
The TORSION action with label chib calculates the following quantities: Quantity | Description |
chib.value | the TORSION involving these atoms |
chic: =156,157,160,162
The TORSION action with label chic calculates the following quantities: Quantity | Description |
chic.value | the TORSION involving these atoms |
chid: =210,211,214,215
The TORSION action with label chid calculates the following quantities: Quantity | Description |
chid.value | the TORSION involving these atoms |
chie: =261,262,265,267
The TORSION action with label chie calculates the following quantities: Quantity | Description |
chie.value | the TORSION involving these atoms |
chif: =350,351,354,356
The TORSION action with label chif calculates the following quantities: Quantity | Description |
chif.value | the TORSION involving these atoms |
chig: =411,412,415,417
The TORSION action with label chig calculates the following quantities: Quantity | Description |
chig.value | the TORSION involving these atoms |
chih: =475,476,479,481
The TORSION action with label chih calculates the following quantities: Quantity | Description |
chih.value | the TORSION involving these atoms |
chii: =529,530,533,534
The TORSION action with label chii calculates the following quantities: Quantity | Description |
chii.value | the TORSION involving these atoms |
chij: =580,581,584,586
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: =93,96,98,99
The TORSION action with label chiba calculates the following quantities: Quantity | Description |
chiba.value | the TORSION involving these atoms |
chifa: =351,354,356,357
The TORSION action with label chifa calculates the following quantities: Quantity | Description |
chifa.value | the TORSION involving these atoms |
chiga: =412,415,417,418
# --- End of included input ---
The TORSION action with label chiga calculates the following quantities: Quantity | Description |
chiga.value | the TORSION involving these atoms |
...
=d
=50000 =2 =1000
=2550000 =4 =2500
=8825000 =0
=25100000 =0
=37500000 =0
... MOVINGRESTRAINT
=1000 =COLVAR