Project ID: plumID:21.030
Source: npm/cv.dat

#! vim:ft=plumed

#RESTART 

# COLVARS 

# rg
rg: GYRATION TYPE=RADIUS ATOMS=1,3,4,26,28,29,46,48,49,66,68,69,86,88,89,106,108,109,126,128,129,146,148,149,166,168,169,186,188,189,206,208,209,226,228

ALPHABETA ...
ATOMS1=4,3,1,29 REFERENCE=0 # CA -NL - CLP - CA
ATOMS2=29,28,26,49
ATOMS3=49,48,46,69
ATOMS4=69,68,66,89
ATOMS5=89,88,86,109
ATOMS6=109,108,106,129
ATOMS7=129,128,126,149
ATOMS8=149,148,146,169
ATOMS9=169,168,166,189
ATOMS10=189,188,186,209
ATOMS11=209,208,206,228 
LABEL=ab_omega
... ALPHABETA

# dihedrals 
# phi 
phi0: TORSION ATOMS=21,4,3,1
phi1: TORSION ATOMS=1,29,28,26
phi2: TORSION ATOMS=26,49,48,46
phi3: TORSION ATOMS=46,69,68,66
phi4: TORSION ATOMS=66,89,88,86
phi5: TORSION ATOMS=86,109,108,106
phi6: TORSION ATOMS=106,129,128,126
phi7: TORSION ATOMS=126,149,148,146
phi8: TORSION ATOMS=146,169,168,166
phi9: TORSION ATOMS=166,189,188,186
phi10: TORSION ATOMS=186,209,208,206

# psi 
psi0: TORSION ATOMS=23,21,4,3
psi1: TORSION ATOMS=3,1,29,28 
psi2: TORSION ATOMS=28,26,49,48
psi3: TORSION ATOMS=48,46,69,68
psi4: TORSION ATOMS=68,66,89,88
psi5: TORSION ATOMS=88,86,109,108
psi6: TORSION ATOMS=108,106,129,128
psi7: TORSION ATOMS=128,126,149,148
psi8: TORSION ATOMS=148,146,169,168
psi9: TORSION ATOMS=168,166,189,188
psi10: TORSION ATOMS=188,186,209,208
psi11: TORSION ATOMS=208,206,228,226

# omega 
omega0: TORSION ATOMS=4,3,1,29
omega1: TORSION ATOMS=29,28,26,49
omega2: TORSION ATOMS=49,48,46,69
omega3: TORSION ATOMS=69,68,66,89
omega4: TORSION ATOMS=89,88,86,109
omega5: TORSION ATOMS=109,108,106,129
omega6: TORSION ATOMS=129,128,126,149
omega7: TORSION ATOMS=149,148,146,169
omega8: TORSION ATOMS=169,168,166,189
omega9: TORSION ATOMS=189,188,186,209
omega10: TORSION ATOMS=209,208,206,228

# chi-1
chi0: TORSION ATOMS=4,3,7,10
chi1: TORSION ATOMS=29,28,32,35
chi2: TORSION ATOMS=49,48,52,55
chi3: TORSION ATOMS=69,68,72,75
chi4: TORSION ATOMS=89,88,92,95
chi5: TORSION ATOMS=109,108,112,115
chi6: TORSION ATOMS=129,128,132,135
chi7: TORSION ATOMS=149,148,152,155
chi8: TORSION ATOMS=169,168,172,175
chi9: TORSION ATOMS=189,188,192,195
chi10: TORSION ATOMS=209,208,212,215
chi11: TORSION ATOMS=228,226,231,234

# chi-2
chi20: TORSION ATOMS=3,7,10,11
chi21: TORSION ATOMS=28,32,35,36
chi22: TORSION ATOMS=48,52,55,56
chi23: TORSION ATOMS=68,72,75,76
chi24: TORSION ATOMS=88,92,95,96
chi25: TORSION ATOMS=108,112,115,116
chi26: TORSION ATOMS=128,132,135,136
chi27: TORSION ATOMS=148,152,155,156
chi28: TORSION ATOMS=168,172,175,176
chi29: TORSION ATOMS=188,192,195,196
chi210: TORSION ATOMS=208,212,215,216
chi211: TORSION ATOMS=226,231,234,235