Project ID: plumID:24.003
Source: plumed_nest/diff_sequences/CH30/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
=1-826
The WHOLEMOLECULES action with label calculates something =1-399 =p1
The COM action with label p1 calculates something =1-30 =r1
The COM action with label r1 calculates something =376-399 =r14
The COM action with label r14 calculates something =434-826 =p2
The COM action with label p2 calculates something =434-458 =r16
The COM action with label r16 calculates something =804-826 =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 =1,31,64,88,112,145,170,196,225,249,273,296,321,347,376,434,459,492,516,540,573,598,624,653,677,701,724,749,775,804 =rg
The GYRATION action with label rg calculates something =RADIUS =1,31,64,88,112,145,170,196,225,249,273,296,321,347,376 =rg_1
The GYRATION action with label rg_1 calculates something =RADIUS =434,459,492,516,540,573,598,624,653,677,701,724,749,775,804 =rg_2
The GYRATION action with label rg_2 calculates something =31-63 =H1
The COM action with label H1 calculates something =112-144 =H2
The COM action with label H2 calculates something =196-224 =H3
The COM action with label H3 calculates something =273-295 =H4
The COM action with label H4 calculates something =347-375 =H5
The COM action with label H5 calculates something =459-491 =H1_2
The COM action with label H1_2 calculates something =540-572 =H2_2
The COM action with label H2_2 calculates something =624-652 =H3_2
The COM action with label H3_2 calculates something =701-723 =H4_2
The COM action with label H4_2 calculates something =775-803 =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: =62,64,83,86
The TORSION action with label phi2 calculates the following quantities: Quantity | Description |
phi2.value | the TORSION involving these atoms |
phi3: =86,88,107,110
The TORSION action with label phi3 calculates the following quantities: Quantity | Description |
phi3.value | the TORSION involving these atoms |
phi4: =110,112,140,143
The TORSION action with label phi4 calculates the following quantities: Quantity | Description |
phi4.value | the TORSION involving these atoms |
phi5: =143,145,165,168
The TORSION action with label phi5 calculates the following quantities: Quantity | Description |
phi5.value | the TORSION involving these atoms |
phi6: =168,170,191,194
The TORSION action with label phi6 calculates the following quantities: Quantity | Description |
phi6.value | the TORSION involving these atoms |
phi7: =194,196,220,223
The TORSION action with label phi7 calculates the following quantities: Quantity | Description |
phi7.value | the TORSION involving these atoms |
phi8: =223,225,244,247
The TORSION action with label phi8 calculates the following quantities: Quantity | Description |
phi8.value | the TORSION involving these atoms |
phi9: =247,249,268,271
The TORSION action with label phi9 calculates the following quantities: Quantity | Description |
phi9.value | the TORSION involving these atoms |
phi10: =271,273,291,294
The TORSION action with label phi10 calculates the following quantities: Quantity | Description |
phi10.value | the TORSION involving these atoms |
phi11: =294,296,316,319
The TORSION action with label phi11 calculates the following quantities: Quantity | Description |
phi11.value | the TORSION involving these atoms |
phi12: =319,321,342,345
The TORSION action with label phi12 calculates the following quantities: Quantity | Description |
phi12.value | the TORSION involving these atoms |
phi13: =345,347,371,374
The TORSION action with label phi13 calculates the following quantities: Quantity | Description |
phi13.value | the TORSION involving these atoms |
phi14: =374,376,395,398
The TORSION action with label phi14 calculates the following quantities: Quantity | Description |
phi14.value | the TORSION involving these atoms |
phi17: =457,459,487,490
The TORSION action with label phi17 calculates the following quantities: Quantity | Description |
phi17.value | the TORSION involving these atoms |
phi18: =490,492,511,514
The TORSION action with label phi18 calculates the following quantities: Quantity | Description |
phi18.value | the TORSION involving these atoms |
phi19: =514,516,535,538
The TORSION action with label phi19 calculates the following quantities: Quantity | Description |
phi19.value | the TORSION involving these atoms |
phi20: =538,540,568,571
The TORSION action with label phi20 calculates the following quantities: Quantity | Description |
phi20.value | the TORSION involving these atoms |
phi21: =571,573,593,596
The TORSION action with label phi21 calculates the following quantities: Quantity | Description |
phi21.value | the TORSION involving these atoms |
phi22: =596,598,619,622
The TORSION action with label phi22 calculates the following quantities: Quantity | Description |
phi22.value | the TORSION involving these atoms |
phi23: =622,624,648,651
The TORSION action with label phi23 calculates the following quantities: Quantity | Description |
phi23.value | the TORSION involving these atoms |
phi24: =651,653,672,675
The TORSION action with label phi24 calculates the following quantities: Quantity | Description |
phi24.value | the TORSION involving these atoms |
phi25: =675,677,696,699
The TORSION action with label phi25 calculates the following quantities: Quantity | Description |
phi25.value | the TORSION involving these atoms |
phi26: =699,701,719,722
The TORSION action with label phi26 calculates the following quantities: Quantity | Description |
phi26.value | the TORSION involving these atoms |
phi27: =722,724,744,747
The TORSION action with label phi27 calculates the following quantities: Quantity | Description |
phi27.value | the TORSION involving these atoms |
phi28: =747,749,770,773
The TORSION action with label phi28 calculates the following quantities: Quantity | Description |
phi28.value | the TORSION involving these atoms |
phi29: =773,775,799,802
The TORSION action with label phi29 calculates the following quantities: Quantity | Description |
phi29.value | the TORSION involving these atoms |
phi30: =802,804,819,822
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: =64,83,86,88
The TORSION action with label psi2 calculates the following quantities: Quantity | Description |
psi2.value | the TORSION involving these atoms |
psi3: =88,107,110,112
The TORSION action with label psi3 calculates the following quantities: Quantity | Description |
psi3.value | the TORSION involving these atoms |
psi4: =112,140,143,145
The TORSION action with label psi4 calculates the following quantities: Quantity | Description |
psi4.value | the TORSION involving these atoms |
psi5: =145,165,168,170
The TORSION action with label psi5 calculates the following quantities: Quantity | Description |
psi5.value | the TORSION involving these atoms |
psi6: =170,191,194,196
The TORSION action with label psi6 calculates the following quantities: Quantity | Description |
psi6.value | the TORSION involving these atoms |
psi7: =196,220,223,225
The TORSION action with label psi7 calculates the following quantities: Quantity | Description |
psi7.value | the TORSION involving these atoms |
psi8: =225,244,247,249
The TORSION action with label psi8 calculates the following quantities: Quantity | Description |
psi8.value | the TORSION involving these atoms |
psi9: =249,268,271,273
The TORSION action with label psi9 calculates the following quantities: Quantity | Description |
psi9.value | the TORSION involving these atoms |
psi10: =273,291,294,296
The TORSION action with label psi10 calculates the following quantities: Quantity | Description |
psi10.value | the TORSION involving these atoms |
psi11: =296,316,319,321
The TORSION action with label psi11 calculates the following quantities: Quantity | Description |
psi11.value | the TORSION involving these atoms |
psi12: =321,342,345,347
The TORSION action with label psi12 calculates the following quantities: Quantity | Description |
psi12.value | the TORSION involving these atoms |
psi13: =347,371,374,376
The TORSION action with label psi13 calculates the following quantities: Quantity | Description |
psi13.value | the TORSION involving these atoms |
psi16: =434,454,457,459
The TORSION action with label psi16 calculates the following quantities: Quantity | Description |
psi16.value | the TORSION involving these atoms |
psi17: =459,487,490,492
The TORSION action with label psi17 calculates the following quantities: Quantity | Description |
psi17.value | the TORSION involving these atoms |
psi18: =492,511,514,516
The TORSION action with label psi18 calculates the following quantities: Quantity | Description |
psi18.value | the TORSION involving these atoms |
psi19: =516,535,538,540
The TORSION action with label psi19 calculates the following quantities: Quantity | Description |
psi19.value | the TORSION involving these atoms |
psi20: =540,568,571,573
The TORSION action with label psi20 calculates the following quantities: Quantity | Description |
psi20.value | the TORSION involving these atoms |
psi21: =573,593,596,598
The TORSION action with label psi21 calculates the following quantities: Quantity | Description |
psi21.value | the TORSION involving these atoms |
psi22: =598,619,622,624
The TORSION action with label psi22 calculates the following quantities: Quantity | Description |
psi22.value | the TORSION involving these atoms |
psi23: =624,648,651,653
The TORSION action with label psi23 calculates the following quantities: Quantity | Description |
psi23.value | the TORSION involving these atoms |
psi24: =653,672,675,677
The TORSION action with label psi24 calculates the following quantities: Quantity | Description |
psi24.value | the TORSION involving these atoms |
psi25: =677,696,699,701
The TORSION action with label psi25 calculates the following quantities: Quantity | Description |
psi25.value | the TORSION involving these atoms |
psi26: =701,719,722,724
The TORSION action with label psi26 calculates the following quantities: Quantity | Description |
psi26.value | the TORSION involving these atoms |
psi27: =724,744,747,749
The TORSION action with label psi27 calculates the following quantities: Quantity | Description |
psi27.value | the TORSION involving these atoms |
psi28: =749,770,773,775
The TORSION action with label psi28 calculates the following quantities: Quantity | Description |
psi28.value | the TORSION involving these atoms |
psi29: =775,799,802,804
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: =59,62,64,83
The TORSION action with label omega2 calculates the following quantities: Quantity | Description |
omega2.value | the TORSION involving these atoms |
omega3: =83,86,88,107
The TORSION action with label omega3 calculates the following quantities: Quantity | Description |
omega3.value | the TORSION involving these atoms |
omega4: =107,110,112,140
The TORSION action with label omega4 calculates the following quantities: Quantity | Description |
omega4.value | the TORSION involving these atoms |
omega5: =140,143,145,165
The TORSION action with label omega5 calculates the following quantities: Quantity | Description |
omega5.value | the TORSION involving these atoms |
omega6: =165,168,170,191
The TORSION action with label omega6 calculates the following quantities: Quantity | Description |
omega6.value | the TORSION involving these atoms |
omega7: =191,194,196,220
The TORSION action with label omega7 calculates the following quantities: Quantity | Description |
omega7.value | the TORSION involving these atoms |
omega8: =220,223,225,244
The TORSION action with label omega8 calculates the following quantities: Quantity | Description |
omega8.value | the TORSION involving these atoms |
omega9: =244,247,249,268
The TORSION action with label omega9 calculates the following quantities: Quantity | Description |
omega9.value | the TORSION involving these atoms |
omega10: =268,271,273,291
The TORSION action with label omega10 calculates the following quantities: Quantity | Description |
omega10.value | the TORSION involving these atoms |
omega11: =291,294,296,316
The TORSION action with label omega11 calculates the following quantities: Quantity | Description |
omega11.value | the TORSION involving these atoms |
omega12: =316,319,321,342
The TORSION action with label omega12 calculates the following quantities: Quantity | Description |
omega12.value | the TORSION involving these atoms |
omega13: =342,345,347,371
The TORSION action with label omega13 calculates the following quantities: Quantity | Description |
omega13.value | the TORSION involving these atoms |
omega14: =371,374,376,395
The TORSION action with label omega14 calculates the following quantities: Quantity | Description |
omega14.value | the TORSION involving these atoms |
omega17: =454,457,459,487
The TORSION action with label omega17 calculates the following quantities: Quantity | Description |
omega17.value | the TORSION involving these atoms |
omega18: =487,490,492,511
The TORSION action with label omega18 calculates the following quantities: Quantity | Description |
omega18.value | the TORSION involving these atoms |
omega19: =511,514,516,535
The TORSION action with label omega19 calculates the following quantities: Quantity | Description |
omega19.value | the TORSION involving these atoms |
omega20: =535,538,540,568
The TORSION action with label omega20 calculates the following quantities: Quantity | Description |
omega20.value | the TORSION involving these atoms |
omega21: =568,571,573,593
The TORSION action with label omega21 calculates the following quantities: Quantity | Description |
omega21.value | the TORSION involving these atoms |
omega22: =593,596,598,619
The TORSION action with label omega22 calculates the following quantities: Quantity | Description |
omega22.value | the TORSION involving these atoms |
omega23: =619,622,624,648
The TORSION action with label omega23 calculates the following quantities: Quantity | Description |
omega23.value | the TORSION involving these atoms |
omega24: =648,651,653,672
The TORSION action with label omega24 calculates the following quantities: Quantity | Description |
omega24.value | the TORSION involving these atoms |
omega25: =672,675,677,696
The TORSION action with label omega25 calculates the following quantities: Quantity | Description |
omega25.value | the TORSION involving these atoms |
omega26: =696,699,701,719
The TORSION action with label omega26 calculates the following quantities: Quantity | Description |
omega26.value | the TORSION involving these atoms |
omega27: =719,722,724,744
The TORSION action with label omega27 calculates the following quantities: Quantity | Description |
omega27.value | the TORSION involving these atoms |
omega28: =744,747,749,770
The TORSION action with label omega28 calculates the following quantities: Quantity | Description |
omega28.value | the TORSION involving these atoms |
omega29: =770,773,775,799
The TORSION action with label omega29 calculates the following quantities: Quantity | Description |
omega29.value | the TORSION involving these atoms |
omega30: =799,802,804,819
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: =83,64,65,71
The TORSION action with label chi2 calculates the following quantities: Quantity | Description |
chi2.value | the TORSION involving these atoms |
chi3: =107,88,89,95
The TORSION action with label chi3 calculates the following quantities: Quantity | Description |
chi3.value | the TORSION involving these atoms |
chi4: =140,112,113,116
The TORSION action with label chi4 calculates the following quantities: Quantity | Description |
chi4.value | the TORSION involving these atoms |
chi5: =165,145,146,152
The TORSION action with label chi5 calculates the following quantities: Quantity | Description |
chi5.value | the TORSION involving these atoms |
chi6: =191,170,171,177
The TORSION action with label chi6 calculates the following quantities: Quantity | Description |
chi6.value | the TORSION involving these atoms |
chi7: =220,196,197,203
The TORSION action with label chi7 calculates the following quantities: Quantity | Description |
chi7.value | the TORSION involving these atoms |
chi8: =244,225,226,232
The TORSION action with label chi8 calculates the following quantities: Quantity | Description |
chi8.value | the TORSION involving these atoms |
chi9: =268,249,250,256
The TORSION action with label chi9 calculates the following quantities: Quantity | Description |
chi9.value | the TORSION involving these atoms |
chi10: =291,273,274,280
The TORSION action with label chi10 calculates the following quantities: Quantity | Description |
chi10.value | the TORSION involving these atoms |
chi11: =316,296,297,303
The TORSION action with label chi11 calculates the following quantities: Quantity | Description |
chi11.value | the TORSION involving these atoms |
chi12: =342,321,322,328
The TORSION action with label chi12 calculates the following quantities: Quantity | Description |
chi12.value | the TORSION involving these atoms |
chi13: =371,347,348,354
The TORSION action with label chi13 calculates the following quantities: Quantity | Description |
chi13.value | the TORSION involving these atoms |
chi14: =395,376,377,383
The TORSION action with label chi14 calculates the following quantities: Quantity | Description |
chi14.value | the TORSION involving these atoms |
chi16: =454,434,435,441
The TORSION action with label chi16 calculates the following quantities: Quantity | Description |
chi16.value | the TORSION involving these atoms |
chi17: =487,459,460,463
The TORSION action with label chi17 calculates the following quantities: Quantity | Description |
chi17.value | the TORSION involving these atoms |
chi18: =511,492,493,499
The TORSION action with label chi18 calculates the following quantities: Quantity | Description |
chi18.value | the TORSION involving these atoms |
chi19: =535,516,517,523
The TORSION action with label chi19 calculates the following quantities: Quantity | Description |
chi19.value | the TORSION involving these atoms |
chi20: =568,540,541,544
The TORSION action with label chi20 calculates the following quantities: Quantity | Description |
chi20.value | the TORSION involving these atoms |
chi21: =593,573,574,580
The TORSION action with label chi21 calculates the following quantities: Quantity | Description |
chi21.value | the TORSION involving these atoms |
chi22: =619,598,599,605
The TORSION action with label chi22 calculates the following quantities: Quantity | Description |
chi22.value | the TORSION involving these atoms |
chi23: =648,624,625,631
The TORSION action with label chi23 calculates the following quantities: Quantity | Description |
chi23.value | the TORSION involving these atoms |
chi24: =672,653,654,660
The TORSION action with label chi24 calculates the following quantities: Quantity | Description |
chi24.value | the TORSION involving these atoms |
chi25: =696,677,678,684
The TORSION action with label chi25 calculates the following quantities: Quantity | Description |
chi25.value | the TORSION involving these atoms |
chi26: =719,701,702,708
The TORSION action with label chi26 calculates the following quantities: Quantity | Description |
chi26.value | the TORSION involving these atoms |
chi27: =744,724,725,731
The TORSION action with label chi27 calculates the following quantities: Quantity | Description |
chi27.value | the TORSION involving these atoms |
chi28: =770,749,750,756
The TORSION action with label chi28 calculates the following quantities: Quantity | Description |
chi28.value | the TORSION involving these atoms |
chi29: =799,775,776,782
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: =112,113,116,118
The TORSION action with label chib calculates the following quantities: Quantity | Description |
chib.value | the TORSION involving these atoms |
chic: =196,197,203,205
The TORSION action with label chic calculates the following quantities: Quantity | Description |
chic.value | the TORSION involving these atoms |
chid: =273,274,280,281
The TORSION action with label chid calculates the following quantities: Quantity | Description |
chid.value | the TORSION involving these atoms |
chie: =347,348,354,356
The TORSION action with label chie calculates the following quantities: Quantity | Description |
chie.value | the TORSION involving these atoms |
chif: =459,460,463,465
The TORSION action with label chif calculates the following quantities: Quantity | Description |
chif.value | the TORSION involving these atoms |
chig: =540,541,544,546
The TORSION action with label chig calculates the following quantities: Quantity | Description |
chig.value | the TORSION involving these atoms |
chih: =624,625,631,633
The TORSION action with label chih calculates the following quantities: Quantity | Description |
chih.value | the TORSION involving these atoms |
chii: =701,702,708,709
The TORSION action with label chii calculates the following quantities: Quantity | Description |
chii.value | the TORSION involving these atoms |
chij: =775,776,782,784
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: =113,116,118,119
The TORSION action with label chiba calculates the following quantities: Quantity | Description |
chiba.value | the TORSION involving these atoms |
chifa: =460,463,465,466
The TORSION action with label chifa calculates the following quantities: Quantity | Description |
chifa.value | the TORSION involving these atoms |
chiga: =541,544,546,547
# --- 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