Project ID: plumID:21.030
Source: plumed-nest/nspe/cv.dat
Originally used with PLUMED version: 2.4
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
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#! vim:ft=plumed
#RESTART
# COLVARS
# rg rg:GYRATIONCalculate the radius of gyration, or other properties related to it. More detailsTYPE=RADIUSThe type of calculation relative to the Gyration Tensor you want to performATOMS=1,3,4,29,31,32,52,54,55,75,77,78,98,100,101,121,123,124,144,146,147,167,169,170,190,192,193,213,215,216,236,238,239,259,261the group of atoms that you are calculating the Gyration Tensor for
# dihedrals # phi phi0:TORSIONCalculate a torsional angle. More detailsATOMS=24,4,3,1 phi1:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=1,32,31,29 phi2:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=29,55,54,52 phi3:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=52,78,77,75 phi4:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=75,101,100,98 phi5:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=98,124,123,121 phi6:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=121,147,146,144 phi7:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=144,170,169,167 phi8:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=167,193,192,190 phi9:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=190,216,215,213 phi10:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=213,239,238,236the four atoms involved in the torsional angle
# psi psi0:TORSIONCalculate a torsional angle. More detailsATOMS=26,24,4,3 psi1:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=3,1,32,31 psi2:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=31,29,55,54 psi3:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=54,52,78,77 psi4:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=77,75,101,100 psi5:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=100,98,124,123 psi6:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=123,121,147,146 psi7:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=146,144,170,169 psi8:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=169,167,193,192 psi9:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=192,190,216,215 psi10:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=215,213,239,238 psi11:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=238,236,261,259the four atoms involved in the torsional angle
# omega omega0:TORSIONCalculate a torsional angle. More detailsATOMS=4,3,1,32 omega1:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=32,31,29,55 omega2:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=55,54,52,78 omega3:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=78,77,75,101 omega4:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=101,100,98,124 omega5:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=124,123,121,147 omega6:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=147,146,144,170 omega7:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=170,169,167,193 omega8:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=193,192,190,216 omega9:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=216,215,213,239 omega10:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=239,238,236,261the four atoms involved in the torsional angle
# chi-1 chi0:TORSIONCalculate a torsional angle. More detailsATOMS=4,3,7,9 chi1:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=32,31,35,37 chi2:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=55,54,58,60 chi3:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=78,77,81,83 chi4:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=101,100,104,106 chi5:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=124,123,127,129 chi6:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=147,146,150,152 chi7:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=170,169,173,175 chi8:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=193,192,196,198 chi9:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=216,215,219,221 chi10:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=239,238,242,244 chi11:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=261,259,264,266the four atoms involved in the torsional angle
# chi-2 chi20:TORSIONCalculate a torsional angle. More detailsATOMS=3,7,13,14 chi21:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=31,35,41,42 chi22:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=54,58,64,65 chi23:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=77,81,87,88 chi24:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=100,104,110,111 chi25:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=123,127,133,134 chi26:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=146,150,156,157 chi27:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=169,173,179,180 chi28:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=192,196,202,203 chi29:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=215,219,225,226 chi210:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=238,242,248,249 chi211:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=259,264,270,271the four atoms involved in the torsional angle