Project ID: plumID:24.003
Source: plumed_nest/diff_sequences/AN30/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
=1-549
The WHOLEMOLECULES action with label calculates something =1-261 =p1
The COM action with label p1 calculates something =1-30 =r1
The COM action with label r1 calculates something =245-261 =r14
The COM action with label r14 calculates something =296-549 =p2
The COM action with label p2 calculates something =296-311 =r16
The COM action with label r16 calculates something =527-549 =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 =1,31,47,64,80,97,113,130,146,163,179,196,212,229,245,296,312,329,345,362,378,395,411,428,444,461,477,494,510,527 =rg
The GYRATION action with label rg calculates something =RADIUS =1,31,47,64,80,97,113,130,146,163,179,196,212,229,245 =rg_1
The GYRATION action with label rg_1 calculates something =RADIUS =296,312,329,345,362,378,395,411,428,444,461,477,494,510,527 =rg_2
The GYRATION action with label rg_2 calculates something =31-46 =H1
The COM action with label H1 calculates something =80-96 =H2
The COM action with label H2 calculates something =130-145 =H3
The COM action with label H3 calculates something =179-195 =H4
The COM action with label H4 calculates something =229-244 =H5
The COM action with label H5 calculates something =312-328 =H1_2
The COM action with label H1_2 calculates something =362-377 =H2_2
The COM action with label H2_2 calculates something =411-427 =H3_2
The COM action with label H3_2 calculates something =461-476 =H4_2
The COM action with label H4_2 calculates something =510-526 =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: =29,31,42,45
The TORSION action with label phi1 calculates the following quantities: Quantity | Description |
phi1.value | the TORSION involving these atoms |
phi2: =45,47,59,62
The TORSION action with label phi2 calculates the following quantities: Quantity | Description |
phi2.value | the TORSION involving these atoms |
phi3: =62,64,75,78
The TORSION action with label phi3 calculates the following quantities: Quantity | Description |
phi3.value | the TORSION involving these atoms |
phi4: =78,80,92,95
The TORSION action with label phi4 calculates the following quantities: Quantity | Description |
phi4.value | the TORSION involving these atoms |
phi5: =95,97,108,111
The TORSION action with label phi5 calculates the following quantities: Quantity | Description |
phi5.value | the TORSION involving these atoms |
phi6: =111,113,125,128
The TORSION action with label phi6 calculates the following quantities: Quantity | Description |
phi6.value | the TORSION involving these atoms |
phi7: =128,130,141,144
The TORSION action with label phi7 calculates the following quantities: Quantity | Description |
phi7.value | the TORSION involving these atoms |
phi8: =144,146,158,161
The TORSION action with label phi8 calculates the following quantities: Quantity | Description |
phi8.value | the TORSION involving these atoms |
phi9: =161,163,174,177
The TORSION action with label phi9 calculates the following quantities: Quantity | Description |
phi9.value | the TORSION involving these atoms |
phi10: =177,179,191,194
The TORSION action with label phi10 calculates the following quantities: Quantity | Description |
phi10.value | the TORSION involving these atoms |
phi11: =194,196,207,210
The TORSION action with label phi11 calculates the following quantities: Quantity | Description |
phi11.value | the TORSION involving these atoms |
phi12: =210,212,224,227
The TORSION action with label phi12 calculates the following quantities: Quantity | Description |
phi12.value | the TORSION involving these atoms |
phi13: =227,229,240,243
The TORSION action with label phi13 calculates the following quantities: Quantity | Description |
phi13.value | the TORSION involving these atoms |
phi14: =243,245,257,260
The TORSION action with label phi14 calculates the following quantities: Quantity | Description |
phi14.value | the TORSION involving these atoms |
phi17: =310,312,324,327
The TORSION action with label phi17 calculates the following quantities: Quantity | Description |
phi17.value | the TORSION involving these atoms |
phi18: =327,329,340,343
The TORSION action with label phi18 calculates the following quantities: Quantity | Description |
phi18.value | the TORSION involving these atoms |
phi19: =343,345,357,360
The TORSION action with label phi19 calculates the following quantities: Quantity | Description |
phi19.value | the TORSION involving these atoms |
phi20: =360,362,373,376
The TORSION action with label phi20 calculates the following quantities: Quantity | Description |
phi20.value | the TORSION involving these atoms |
phi21: =376,378,390,393
The TORSION action with label phi21 calculates the following quantities: Quantity | Description |
phi21.value | the TORSION involving these atoms |
phi22: =393,395,406,409
The TORSION action with label phi22 calculates the following quantities: Quantity | Description |
phi22.value | the TORSION involving these atoms |
phi23: =409,411,423,426
The TORSION action with label phi23 calculates the following quantities: Quantity | Description |
phi23.value | the TORSION involving these atoms |
phi24: =426,428,439,442
The TORSION action with label phi24 calculates the following quantities: Quantity | Description |
phi24.value | the TORSION involving these atoms |
phi25: =442,444,456,459
The TORSION action with label phi25 calculates the following quantities: Quantity | Description |
phi25.value | the TORSION involving these atoms |
phi26: =459,461,472,475
The TORSION action with label phi26 calculates the following quantities: Quantity | Description |
phi26.value | the TORSION involving these atoms |
phi27: =475,477,489,492
The TORSION action with label phi27 calculates the following quantities: Quantity | Description |
phi27.value | the TORSION involving these atoms |
phi28: =492,494,505,508
The TORSION action with label phi28 calculates the following quantities: Quantity | Description |
phi28.value | the TORSION involving these atoms |
phi29: =508,510,522,525
The TORSION action with label phi29 calculates the following quantities: Quantity | Description |
phi29.value | the TORSION involving these atoms |
phi30: =525,527,542,545
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: =31,42,45,47
The TORSION action with label psi1 calculates the following quantities: Quantity | Description |
psi1.value | the TORSION involving these atoms |
psi2: =47,59,62,64
The TORSION action with label psi2 calculates the following quantities: Quantity | Description |
psi2.value | the TORSION involving these atoms |
psi3: =64,75,78,80
The TORSION action with label psi3 calculates the following quantities: Quantity | Description |
psi3.value | the TORSION involving these atoms |
psi4: =80,92,95,97
The TORSION action with label psi4 calculates the following quantities: Quantity | Description |
psi4.value | the TORSION involving these atoms |
psi5: =97,108,111,113
The TORSION action with label psi5 calculates the following quantities: Quantity | Description |
psi5.value | the TORSION involving these atoms |
psi6: =113,125,128,130
The TORSION action with label psi6 calculates the following quantities: Quantity | Description |
psi6.value | the TORSION involving these atoms |
psi7: =130,141,144,146
The TORSION action with label psi7 calculates the following quantities: Quantity | Description |
psi7.value | the TORSION involving these atoms |
psi8: =146,158,161,163
The TORSION action with label psi8 calculates the following quantities: Quantity | Description |
psi8.value | the TORSION involving these atoms |
psi9: =163,174,177,179
The TORSION action with label psi9 calculates the following quantities: Quantity | Description |
psi9.value | the TORSION involving these atoms |
psi10: =179,191,194,196
The TORSION action with label psi10 calculates the following quantities: Quantity | Description |
psi10.value | the TORSION involving these atoms |
psi11: =196,207,210,212
The TORSION action with label psi11 calculates the following quantities: Quantity | Description |
psi11.value | the TORSION involving these atoms |
psi12: =212,224,227,229
The TORSION action with label psi12 calculates the following quantities: Quantity | Description |
psi12.value | the TORSION involving these atoms |
psi13: =229,240,243,245
The TORSION action with label psi13 calculates the following quantities: Quantity | Description |
psi13.value | the TORSION involving these atoms |
psi16: =296,307,310,312
The TORSION action with label psi16 calculates the following quantities: Quantity | Description |
psi16.value | the TORSION involving these atoms |
psi17: =312,324,327,329
The TORSION action with label psi17 calculates the following quantities: Quantity | Description |
psi17.value | the TORSION involving these atoms |
psi18: =329,340,343,345
The TORSION action with label psi18 calculates the following quantities: Quantity | Description |
psi18.value | the TORSION involving these atoms |
psi19: =345,357,360,362
The TORSION action with label psi19 calculates the following quantities: Quantity | Description |
psi19.value | the TORSION involving these atoms |
psi20: =362,373,376,378
The TORSION action with label psi20 calculates the following quantities: Quantity | Description |
psi20.value | the TORSION involving these atoms |
psi21: =378,390,393,395
The TORSION action with label psi21 calculates the following quantities: Quantity | Description |
psi21.value | the TORSION involving these atoms |
psi22: =395,406,409,411
The TORSION action with label psi22 calculates the following quantities: Quantity | Description |
psi22.value | the TORSION involving these atoms |
psi23: =411,423,426,428
The TORSION action with label psi23 calculates the following quantities: Quantity | Description |
psi23.value | the TORSION involving these atoms |
psi24: =428,439,442,444
The TORSION action with label psi24 calculates the following quantities: Quantity | Description |
psi24.value | the TORSION involving these atoms |
psi25: =444,456,459,461
The TORSION action with label psi25 calculates the following quantities: Quantity | Description |
psi25.value | the TORSION involving these atoms |
psi26: =461,472,475,477
The TORSION action with label psi26 calculates the following quantities: Quantity | Description |
psi26.value | the TORSION involving these atoms |
psi27: =477,489,492,494
The TORSION action with label psi27 calculates the following quantities: Quantity | Description |
psi27.value | the TORSION involving these atoms |
psi28: =494,505,508,510
The TORSION action with label psi28 calculates the following quantities: Quantity | Description |
psi28.value | the TORSION involving these atoms |
psi29: =510,522,525,527
The TORSION action with label psi29 calculates the following quantities: Quantity | Description |
psi29.value | the TORSION involving these atoms |
omega1: =26,29,31,42
The TORSION action with label omega1 calculates the following quantities: Quantity | Description |
omega1.value | the TORSION involving these atoms |
omega2: =42,45,47,59
The TORSION action with label omega2 calculates the following quantities: Quantity | Description |
omega2.value | the TORSION involving these atoms |
omega3: =59,62,64,75
The TORSION action with label omega3 calculates the following quantities: Quantity | Description |
omega3.value | the TORSION involving these atoms |
omega4: =75,78,80,92
The TORSION action with label omega4 calculates the following quantities: Quantity | Description |
omega4.value | the TORSION involving these atoms |
omega5: =92,95,97,108
The TORSION action with label omega5 calculates the following quantities: Quantity | Description |
omega5.value | the TORSION involving these atoms |
omega6: =108,111,113,125
The TORSION action with label omega6 calculates the following quantities: Quantity | Description |
omega6.value | the TORSION involving these atoms |
omega7: =125,128,130,141
The TORSION action with label omega7 calculates the following quantities: Quantity | Description |
omega7.value | the TORSION involving these atoms |
omega8: =141,144,146,158
The TORSION action with label omega8 calculates the following quantities: Quantity | Description |
omega8.value | the TORSION involving these atoms |
omega9: =158,161,163,174
The TORSION action with label omega9 calculates the following quantities: Quantity | Description |
omega9.value | the TORSION involving these atoms |
omega10: =174,177,179,191
The TORSION action with label omega10 calculates the following quantities: Quantity | Description |
omega10.value | the TORSION involving these atoms |
omega11: =191,194,196,207
The TORSION action with label omega11 calculates the following quantities: Quantity | Description |
omega11.value | the TORSION involving these atoms |
omega12: =207,210,212,224
The TORSION action with label omega12 calculates the following quantities: Quantity | Description |
omega12.value | the TORSION involving these atoms |
omega13: =224,227,229,240
The TORSION action with label omega13 calculates the following quantities: Quantity | Description |
omega13.value | the TORSION involving these atoms |
omega14: =240,243,245,257
The TORSION action with label omega14 calculates the following quantities: Quantity | Description |
omega14.value | the TORSION involving these atoms |
omega17: =307,310,312,324
The TORSION action with label omega17 calculates the following quantities: Quantity | Description |
omega17.value | the TORSION involving these atoms |
omega18: =324,327,329,340
The TORSION action with label omega18 calculates the following quantities: Quantity | Description |
omega18.value | the TORSION involving these atoms |
omega19: =340,343,345,357
The TORSION action with label omega19 calculates the following quantities: Quantity | Description |
omega19.value | the TORSION involving these atoms |
omega20: =357,360,362,373
The TORSION action with label omega20 calculates the following quantities: Quantity | Description |
omega20.value | the TORSION involving these atoms |
omega21: =373,376,378,390
The TORSION action with label omega21 calculates the following quantities: Quantity | Description |
omega21.value | the TORSION involving these atoms |
omega22: =390,393,395,406
The TORSION action with label omega22 calculates the following quantities: Quantity | Description |
omega22.value | the TORSION involving these atoms |
omega23: =406,409,411,423
The TORSION action with label omega23 calculates the following quantities: Quantity | Description |
omega23.value | the TORSION involving these atoms |
omega24: =423,426,428,439
The TORSION action with label omega24 calculates the following quantities: Quantity | Description |
omega24.value | the TORSION involving these atoms |
omega25: =439,442,444,456
The TORSION action with label omega25 calculates the following quantities: Quantity | Description |
omega25.value | the TORSION involving these atoms |
omega26: =456,459,461,472
The TORSION action with label omega26 calculates the following quantities: Quantity | Description |
omega26.value | the TORSION involving these atoms |
omega27: =472,475,477,489
The TORSION action with label omega27 calculates the following quantities: Quantity | Description |
omega27.value | the TORSION involving these atoms |
omega28: =489,492,494,505
The TORSION action with label omega28 calculates the following quantities: Quantity | Description |
omega28.value | the TORSION involving these atoms |
omega29: =505,508,510,522
The TORSION action with label omega29 calculates the following quantities: Quantity | Description |
omega29.value | the TORSION involving these atoms |
omega30: =522,525,527,542
The TORSION action with label omega30 calculates the following quantities: Quantity | Description |
omega30.value | the TORSION involving these atoms |
chi1: =42,31,32,35
The TORSION action with label chi1 calculates the following quantities: Quantity | Description |
chi1.value | the TORSION involving these atoms |
chi2: =59,47,48,51
The TORSION action with label chi2 calculates the following quantities: Quantity | Description |
chi2.value | the TORSION involving these atoms |
chi3: =75,64,65,68
The TORSION action with label chi3 calculates the following quantities: Quantity | Description |
chi3.value | the TORSION involving these atoms |
chi4: =92,80,81,84
The TORSION action with label chi4 calculates the following quantities: Quantity | Description |
chi4.value | the TORSION involving these atoms |
chi5: =108,97,98,101
The TORSION action with label chi5 calculates the following quantities: Quantity | Description |
chi5.value | the TORSION involving these atoms |
chi6: =125,113,114,117
The TORSION action with label chi6 calculates the following quantities: Quantity | Description |
chi6.value | the TORSION involving these atoms |
chi7: =141,130,131,134
The TORSION action with label chi7 calculates the following quantities: Quantity | Description |
chi7.value | the TORSION involving these atoms |
chi8: =158,146,147,150
The TORSION action with label chi8 calculates the following quantities: Quantity | Description |
chi8.value | the TORSION involving these atoms |
chi9: =174,163,164,167
The TORSION action with label chi9 calculates the following quantities: Quantity | Description |
chi9.value | the TORSION involving these atoms |
chi10: =191,179,180,183
The TORSION action with label chi10 calculates the following quantities: Quantity | Description |
chi10.value | the TORSION involving these atoms |
chi11: =207,196,197,200
The TORSION action with label chi11 calculates the following quantities: Quantity | Description |
chi11.value | the TORSION involving these atoms |
chi12: =224,212,213,216
The TORSION action with label chi12 calculates the following quantities: Quantity | Description |
chi12.value | the TORSION involving these atoms |
chi13: =240,229,230,233
The TORSION action with label chi13 calculates the following quantities: Quantity | Description |
chi13.value | the TORSION involving these atoms |
chi14: =257,245,246,249
The TORSION action with label chi14 calculates the following quantities: Quantity | Description |
chi14.value | the TORSION involving these atoms |
chi16: =307,296,297,300
The TORSION action with label chi16 calculates the following quantities: Quantity | Description |
chi16.value | the TORSION involving these atoms |
chi17: =324,312,313,316
The TORSION action with label chi17 calculates the following quantities: Quantity | Description |
chi17.value | the TORSION involving these atoms |
chi18: =340,329,330,333
The TORSION action with label chi18 calculates the following quantities: Quantity | Description |
chi18.value | the TORSION involving these atoms |
chi19: =357,345,346,349
The TORSION action with label chi19 calculates the following quantities: Quantity | Description |
chi19.value | the TORSION involving these atoms |
chi20: =373,362,363,366
The TORSION action with label chi20 calculates the following quantities: Quantity | Description |
chi20.value | the TORSION involving these atoms |
chi21: =390,378,379,382
The TORSION action with label chi21 calculates the following quantities: Quantity | Description |
chi21.value | the TORSION involving these atoms |
chi22: =406,395,396,399
The TORSION action with label chi22 calculates the following quantities: Quantity | Description |
chi22.value | the TORSION involving these atoms |
chi23: =423,411,412,415
The TORSION action with label chi23 calculates the following quantities: Quantity | Description |
chi23.value | the TORSION involving these atoms |
chi24: =439,428,429,432
The TORSION action with label chi24 calculates the following quantities: Quantity | Description |
chi24.value | the TORSION involving these atoms |
chi25: =456,444,445,448
The TORSION action with label chi25 calculates the following quantities: Quantity | Description |
chi25.value | the TORSION involving these atoms |
chi26: =472,461,462,465
The TORSION action with label chi26 calculates the following quantities: Quantity | Description |
chi26.value | the TORSION involving these atoms |
chi27: =489,477,478,481
The TORSION action with label chi27 calculates the following quantities: Quantity | Description |
chi27.value | the TORSION involving these atoms |
chi28: =505,494,495,498
The TORSION action with label chi28 calculates the following quantities: Quantity | Description |
chi28.value | the TORSION involving these atoms |
chi29: =522,510,511,514
# --- End of included input ---
The TORSION action with label chi29 calculates the following quantities: Quantity | Description |
chi29.value | the TORSION involving these atoms |
...
=d
=50000 =2 =1000
=2550000 =4 =2500
=8825000 =0
=25100000 =0
=37500000 =0
... MOVINGRESTRAINT
=1000 =COLVAR