PLUMED-NEST

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

#! vim:ft=plumed

#RESTART 

# COLVARS 

# rg
rg: GYRATION TYPE=RADIUS ATOMS=1,3,4,29,31,32,52,54,55,75,77,78,98,100,101,121,123,124,144,146,147,167,169,170,190,192,193,213,215,216,236,238,239,259,261

# dihedrals 
# phi 
phi0: TORSION ATOMS=24,4,3,1
phi1: TORSION ATOMS=1,32,31,29
phi2: TORSION ATOMS=29,55,54,52
phi3: TORSION ATOMS=52,78,77,75
phi4: TORSION ATOMS=75,101,100,98
phi5: TORSION ATOMS=98,124,123,121
phi6: TORSION ATOMS=121,147,146,144
phi7: TORSION ATOMS=144,170,169,167
phi8: TORSION ATOMS=167,193,192,190
phi9: TORSION ATOMS=190,216,215,213
phi10: TORSION ATOMS=213,239,238,236

# psi 
psi0: TORSION ATOMS=26,24,4,3
psi1: TORSION ATOMS=3,1,32,31
psi2: TORSION ATOMS=31,29,55,54
psi3: TORSION ATOMS=54,52,78,77
psi4: TORSION ATOMS=77,75,101,100
psi5: TORSION ATOMS=100,98,124,123
psi6: TORSION ATOMS=123,121,147,146
psi7: TORSION ATOMS=146,144,170,169
psi8: TORSION ATOMS=169,167,193,192
psi9: TORSION ATOMS=192,190,216,215
psi10: TORSION ATOMS=215,213,239,238
psi11: TORSION ATOMS=238,236,261,259

# omega 
omega0: TORSION ATOMS=4,3,1,32
omega1: TORSION ATOMS=32,31,29,55
omega2: TORSION ATOMS=55,54,52,78
omega3: TORSION ATOMS=78,77,75,101
omega4: TORSION ATOMS=101,100,98,124
omega5: TORSION ATOMS=124,123,121,147
omega6: TORSION ATOMS=147,146,144,170
omega7: TORSION ATOMS=170,169,167,193
omega8: TORSION ATOMS=193,192,190,216
omega9: TORSION ATOMS=216,215,213,239
omega10: TORSION ATOMS=239,238,236,261

# chi-1
chi0: TORSION ATOMS=4,3,7,13
chi1: TORSION ATOMS=32,31,35,41
chi2: TORSION ATOMS=55,54,58,64
chi3: TORSION ATOMS=78,77,81,87
chi4: TORSION ATOMS=101,100,104,110
chi5: TORSION ATOMS=124,123,127,133
chi6: TORSION ATOMS=147,146,150,156
chi7: TORSION ATOMS=170,169,173,179
chi8: TORSION ATOMS=193,192,196,202
chi9: TORSION ATOMS=216,215,219,225
chi10: TORSION ATOMS=239,238,242,248
chi11: TORSION ATOMS=261,259,264,270

# chi-2
chi20: TORSION ATOMS=3,7,13,14
chi21: TORSION ATOMS=31,35,41,42
chi22: TORSION ATOMS=54,58,64,65
chi23: TORSION ATOMS=77,81,87,88
chi24: TORSION ATOMS=100,104,110,111
chi25: TORSION ATOMS=123,127,133,134
chi26: TORSION ATOMS=146,150,156,157
chi27: TORSION ATOMS=169,173,179,180
chi28: TORSION ATOMS=192,196,202,203
chi29: TORSION ATOMS=215,219,225,226
chi210: TORSION ATOMS=238,242,248,249
chi211: TORSION ATOMS=259,264,270,271