Project ID: plumID:21.030
Source: plumed-nest/nrpe/ab.dat
Originally used with PLUMED version: 2.4
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
#! vim:ft=plumed
#alphaD- cisALPHABETA...Calculate the alpha beta CV More detailsATOMS1=24,4,3,1the atoms involved for each of the torsions you wish to calculateREFERENCE1=-1.57the reference values for each of the torsional anglesATOMS2=1,32,31,29the atoms involved for each of the torsions you wish to calculateREFERENCE2=-1.57the reference values for each of the torsional anglesATOMS3=29,55,54,52the atoms involved for each of the torsions you wish to calculateREFERENCE3=-1.57the reference values for each of the torsional anglesATOMS4=52,78,77,75the atoms involved for each of the torsions you wish to calculateREFERENCE4=-1.57the reference values for each of the torsional anglesATOMS5=75,101,100,98the atoms involved for each of the torsions you wish to calculateREFERENCE5=-1.57the reference values for each of the torsional anglesATOMS6=98,124,123,121the atoms involved for each of the torsions you wish to calculateREFERENCE6=-1.57the reference values for each of the torsional anglesATOMS7=121,147,146,144the atoms involved for each of the torsions you wish to calculateREFERENCE7=-1.57the reference values for each of the torsional anglesATOMS8=144,170,169,167the atoms involved for each of the torsions you wish to calculateREFERENCE8=-1.57the reference values for each of the torsional anglesATOMS9=167,193,192,190the atoms involved for each of the torsions you wish to calculateREFERENCE9=-1.57the reference values for each of the torsional anglesATOMS10=190,216,215,213the atoms involved for each of the torsions you wish to calculateREFERENCE10=-1.57the reference values for each of the torsional anglesATOMS11=213,239,238,236the atoms involved for each of the torsions you wish to calculateREFERENCE11=-1.57the reference values for each of the torsional anglesATOMS12=26,24,4,3the atoms involved for each of the torsions you wish to calculateREFERENCE12=3.14the reference values for each of the torsional anglesATOMS13=3,1,32,31the atoms involved for each of the torsions you wish to calculateREFERENCE13=3.14the reference values for each of the torsional anglesATOMS14=31,29,55,54the atoms involved for each of the torsions you wish to calculateREFERENCE14=3.14the reference values for each of the torsional anglesATOMS15=54,52,78,77the atoms involved for each of the torsions you wish to calculateREFERENCE15=3.14the reference values for each of the torsional anglesATOMS16=77,75,101,100the atoms involved for each of the torsions you wish to calculateREFERENCE16=3.14the reference values for each of the torsional anglesATOMS17=100,98,124,123the atoms involved for each of the torsions you wish to calculateREFERENCE17=3.14the reference values for each of the torsional anglesATOMS18=123,121,147,146the atoms involved for each of the torsions you wish to calculateREFERENCE18=3.14the reference values for each of the torsional anglesATOMS19=146,144,170,169the atoms involved for each of the torsions you wish to calculateREFERENCE19=3.14the reference values for each of the torsional anglesATOMS20=169,167,193,192the atoms involved for each of the torsions you wish to calculateREFERENCE20=3.14the reference values for each of the torsional anglesATOMS21=192,190,216,215the atoms involved for each of the torsions you wish to calculateREFERENCE21=3.14the reference values for each of the torsional anglesATOMS22=215,213,239,238the atoms involved for each of the torsions you wish to calculateREFERENCE22=3.14the reference values for each of the torsional anglesATOMS23=238,236,261,259the atoms involved for each of the torsions you wish to calculateREFERENCE23=3.14the reference values for each of the torsional anglesATOMS24=4,3,1,32the atoms involved for each of the torsions you wish to calculateREFERENCE24=0the reference values for each of the torsional anglesATOMS25=32,31,29,55the atoms involved for each of the torsions you wish to calculateREFERENCE25=0the reference values for each of the torsional anglesATOMS26=55,54,52,78the atoms involved for each of the torsions you wish to calculateREFERENCE26=0the reference values for each of the torsional anglesATOMS27=78,77,75,101the atoms involved for each of the torsions you wish to calculateREFERENCE27=0the reference values for each of the torsional anglesATOMS28=101,100,98,124the atoms involved for each of the torsions you wish to calculateREFERENCE28=0the reference values for each of the torsional anglesATOMS29=124,123,121,147the atoms involved for each of the torsions you wish to calculateREFERENCE29=0the reference values for each of the torsional anglesATOMS30=147,146,144,170the atoms involved for each of the torsions you wish to calculateREFERENCE30=0the reference values for each of the torsional anglesATOMS31=170,169,167,193the atoms involved for each of the torsions you wish to calculateREFERENCE31=0the reference values for each of the torsional anglesATOMS32=193,192,190,216the atoms involved for each of the torsions you wish to calculateREFERENCE32=0the reference values for each of the torsional anglesATOMS33=216,215,213,239the atoms involved for each of the torsions you wish to calculateREFERENCE33=0the reference values for each of the torsional anglesATOMS34=239,238,236,261the atoms involved for each of the torsions you wish to calculateREFERENCE34=0the reference values for each of the torsional anglesLABEL=alpha_d_minus ... ALPHABETAa label for the action so that its output can be referenced in the input to other actions
#alphaD- transALPHABETA...Calculate the alpha beta CV More detailsATOMS1=24,4,3,1the atoms involved for each of the torsions you wish to calculateREFERENCE1=-1.57the reference values for each of the torsional anglesATOMS2=1,32,31,29the atoms involved for each of the torsions you wish to calculateREFERENCE2=-1.57the reference values for each of the torsional anglesATOMS3=29,55,54,52the atoms involved for each of the torsions you wish to calculateREFERENCE3=-1.57the reference values for each of the torsional anglesATOMS4=52,78,77,75the atoms involved for each of the torsions you wish to calculateREFERENCE4=-1.57the reference values for each of the torsional anglesATOMS5=75,101,100,98the atoms involved for each of the torsions you wish to calculateREFERENCE5=-1.57the reference values for each of the torsional anglesATOMS6=98,124,123,121the atoms involved for each of the torsions you wish to calculateREFERENCE6=-1.57the reference values for each of the torsional anglesATOMS7=121,147,146,144the atoms involved for each of the torsions you wish to calculateREFERENCE7=-1.57the reference values for each of the torsional anglesATOMS8=144,170,169,167the atoms involved for each of the torsions you wish to calculateREFERENCE8=-1.57the reference values for each of the torsional anglesATOMS9=167,193,192,190the atoms involved for each of the torsions you wish to calculateREFERENCE9=-1.57the reference values for each of the torsional anglesATOMS10=190,216,215,213the atoms involved for each of the torsions you wish to calculateREFERENCE10=-1.57the reference values for each of the torsional anglesATOMS11=213,239,238,236the atoms involved for each of the torsions you wish to calculateREFERENCE11=-1.57the reference values for each of the torsional anglesATOMS12=26,24,4,3the atoms involved for each of the torsions you wish to calculateREFERENCE12=3.14the reference values for each of the torsional anglesATOMS13=3,1,32,31the atoms involved for each of the torsions you wish to calculateREFERENCE13=3.14the reference values for each of the torsional anglesATOMS14=31,29,55,54the atoms involved for each of the torsions you wish to calculateREFERENCE14=3.14the reference values for each of the torsional anglesATOMS15=54,52,78,77the atoms involved for each of the torsions you wish to calculateREFERENCE15=3.14the reference values for each of the torsional anglesATOMS16=77,75,101,100the atoms involved for each of the torsions you wish to calculateREFERENCE16=3.14the reference values for each of the torsional anglesATOMS17=100,98,124,123the atoms involved for each of the torsions you wish to calculateREFERENCE17=3.14the reference values for each of the torsional anglesATOMS18=123,121,147,146the atoms involved for each of the torsions you wish to calculateREFERENCE18=3.14the reference values for each of the torsional anglesATOMS19=146,144,170,169the atoms involved for each of the torsions you wish to calculateREFERENCE19=3.14the reference values for each of the torsional anglesATOMS20=169,167,193,192the atoms involved for each of the torsions you wish to calculateREFERENCE20=3.14the reference values for each of the torsional anglesATOMS21=192,190,216,215the atoms involved for each of the torsions you wish to calculateREFERENCE21=3.14the reference values for each of the torsional anglesATOMS22=215,213,239,238the atoms involved for each of the torsions you wish to calculateREFERENCE22=3.14the reference values for each of the torsional anglesATOMS23=238,236,261,259the atoms involved for each of the torsions you wish to calculateREFERENCE23=3.14the reference values for each of the torsional anglesATOMS24=4,3,1,32the atoms involved for each of the torsions you wish to calculateREFERENCE24=3.14the reference values for each of the torsional anglesATOMS25=32,31,29,55the atoms involved for each of the torsions you wish to calculateREFERENCE25=3.14the reference values for each of the torsional anglesATOMS26=55,54,52,78the atoms involved for each of the torsions you wish to calculateREFERENCE26=3.14the reference values for each of the torsional anglesATOMS27=78,77,75,101the atoms involved for each of the torsions you wish to calculateREFERENCE27=3.14the reference values for each of the torsional anglesATOMS28=101,100,98,124the atoms involved for each of the torsions you wish to calculateREFERENCE28=3.14the reference values for each of the torsional anglesATOMS29=124,123,121,147the atoms involved for each of the torsions you wish to calculateREFERENCE29=3.14the reference values for each of the torsional anglesATOMS30=147,146,144,170the atoms involved for each of the torsions you wish to calculateREFERENCE30=3.14the reference values for each of the torsional anglesATOMS31=170,169,167,193the atoms involved for each of the torsions you wish to calculateREFERENCE31=3.14the reference values for each of the torsional anglesATOMS32=193,192,190,216the atoms involved for each of the torsions you wish to calculateREFERENCE32=3.14the reference values for each of the torsional anglesATOMS33=216,215,213,239the atoms involved for each of the torsions you wish to calculateREFERENCE33=3.14the reference values for each of the torsional anglesATOMS34=239,238,236,261the atoms involved for each of the torsions you wish to calculateREFERENCE34=3.14the reference values for each of the torsional anglesLABEL=alpha_d_minus_trans ... ALPHABETAa label for the action so that its output can be referenced in the input to other actions
#alphaD+ cisALPHABETA...Calculate the alpha beta CV More detailsATOMS1=24,4,3,1the atoms involved for each of the torsions you wish to calculateREFERENCE1=1.57the reference values for each of the torsional anglesATOMS2=1,32,31,29the atoms involved for each of the torsions you wish to calculateREFERENCE2=1.57the reference values for each of the torsional anglesATOMS3=29,55,54,52the atoms involved for each of the torsions you wish to calculateREFERENCE3=1.57the reference values for each of the torsional anglesATOMS4=52,78,77,75the atoms involved for each of the torsions you wish to calculateREFERENCE4=1.57the reference values for each of the torsional anglesATOMS5=75,101,100,98the atoms involved for each of the torsions you wish to calculateREFERENCE5=1.57the reference values for each of the torsional anglesATOMS6=98,124,123,121the atoms involved for each of the torsions you wish to calculateREFERENCE6=1.57the reference values for each of the torsional anglesATOMS7=121,147,146,144the atoms involved for each of the torsions you wish to calculateREFERENCE7=1.57the reference values for each of the torsional anglesATOMS8=144,170,169,167the atoms involved for each of the torsions you wish to calculateREFERENCE8=1.57the reference values for each of the torsional anglesATOMS9=167,193,192,190the atoms involved for each of the torsions you wish to calculateREFERENCE9=1.57the reference values for each of the torsional anglesATOMS10=190,216,215,213the atoms involved for each of the torsions you wish to calculateREFERENCE10=1.57the reference values for each of the torsional anglesATOMS11=213,239,238,236the atoms involved for each of the torsions you wish to calculateREFERENCE11=1.57the reference values for each of the torsional anglesATOMS12=26,24,4,3the atoms involved for each of the torsions you wish to calculateREFERENCE12=3.14the reference values for each of the torsional anglesATOMS13=3,1,32,31the atoms involved for each of the torsions you wish to calculateREFERENCE13=3.14the reference values for each of the torsional anglesATOMS14=31,29,55,54the atoms involved for each of the torsions you wish to calculateREFERENCE14=3.14the reference values for each of the torsional anglesATOMS15=54,52,78,77the atoms involved for each of the torsions you wish to calculateREFERENCE15=3.14the reference values for each of the torsional anglesATOMS16=77,75,101,100the atoms involved for each of the torsions you wish to calculateREFERENCE16=3.14the reference values for each of the torsional anglesATOMS17=100,98,124,123the atoms involved for each of the torsions you wish to calculateREFERENCE17=3.14the reference values for each of the torsional anglesATOMS18=123,121,147,146the atoms involved for each of the torsions you wish to calculateREFERENCE18=3.14the reference values for each of the torsional anglesATOMS19=146,144,170,169the atoms involved for each of the torsions you wish to calculateREFERENCE19=3.14the reference values for each of the torsional anglesATOMS20=169,167,193,192the atoms involved for each of the torsions you wish to calculateREFERENCE20=3.14the reference values for each of the torsional anglesATOMS21=192,190,216,215the atoms involved for each of the torsions you wish to calculateREFERENCE21=3.14the reference values for each of the torsional anglesATOMS22=215,213,239,238the atoms involved for each of the torsions you wish to calculateREFERENCE22=3.14the reference values for each of the torsional anglesATOMS23=238,236,261,259the atoms involved for each of the torsions you wish to calculateREFERENCE23=3.14the reference values for each of the torsional anglesATOMS24=4,3,1,32the atoms involved for each of the torsions you wish to calculateREFERENCE24=0the reference values for each of the torsional anglesATOMS25=32,31,29,55the atoms involved for each of the torsions you wish to calculateREFERENCE25=0the reference values for each of the torsional anglesATOMS26=55,54,52,78the atoms involved for each of the torsions you wish to calculateREFERENCE26=0the reference values for each of the torsional anglesATOMS27=78,77,75,101the atoms involved for each of the torsions you wish to calculateREFERENCE27=0the reference values for each of the torsional anglesATOMS28=101,100,98,124the atoms involved for each of the torsions you wish to calculateREFERENCE28=0the reference values for each of the torsional anglesATOMS29=124,123,121,147the atoms involved for each of the torsions you wish to calculateREFERENCE29=0the reference values for each of the torsional anglesATOMS30=147,146,144,170the atoms involved for each of the torsions you wish to calculateREFERENCE30=0the reference values for each of the torsional anglesATOMS31=170,169,167,193the atoms involved for each of the torsions you wish to calculateREFERENCE31=0the reference values for each of the torsional anglesATOMS32=193,192,190,216the atoms involved for each of the torsions you wish to calculateREFERENCE32=0the reference values for each of the torsional anglesATOMS33=216,215,213,239the atoms involved for each of the torsions you wish to calculateREFERENCE33=0the reference values for each of the torsional anglesATOMS34=239,238,236,261the atoms involved for each of the torsions you wish to calculateREFERENCE34=0the reference values for each of the torsional anglesLABEL=alpha_d_plus ... ALPHABETAa label for the action so that its output can be referenced in the input to other actions
#alphaD+ transALPHABETA...Calculate the alpha beta CV More detailsATOMS1=24,4,3,1the atoms involved for each of the torsions you wish to calculateREFERENCE1=1.57the reference values for each of the torsional anglesATOMS2=1,32,31,29the atoms involved for each of the torsions you wish to calculateREFERENCE2=1.57the reference values for each of the torsional anglesATOMS3=29,55,54,52the atoms involved for each of the torsions you wish to calculateREFERENCE3=1.57the reference values for each of the torsional anglesATOMS4=52,78,77,75the atoms involved for each of the torsions you wish to calculateREFERENCE4=1.57the reference values for each of the torsional anglesATOMS5=75,101,100,98the atoms involved for each of the torsions you wish to calculateREFERENCE5=1.57the reference values for each of the torsional anglesATOMS6=98,124,123,121the atoms involved for each of the torsions you wish to calculateREFERENCE6=1.57the reference values for each of the torsional anglesATOMS7=121,147,146,144the atoms involved for each of the torsions you wish to calculateREFERENCE7=1.57the reference values for each of the torsional anglesATOMS8=144,170,169,167the atoms involved for each of the torsions you wish to calculateREFERENCE8=1.57the reference values for each of the torsional anglesATOMS9=167,193,192,190the atoms involved for each of the torsions you wish to calculateREFERENCE9=1.57the reference values for each of the torsional anglesATOMS10=190,216,215,213the atoms involved for each of the torsions you wish to calculateREFERENCE10=1.57the reference values for each of the torsional anglesATOMS11=213,239,238,236the atoms involved for each of the torsions you wish to calculateREFERENCE11=1.57the reference values for each of the torsional anglesATOMS12=26,24,4,3the atoms involved for each of the torsions you wish to calculateREFERENCE12=3.14the reference values for each of the torsional anglesATOMS13=3,1,32,31the atoms involved for each of the torsions you wish to calculateREFERENCE13=3.14the reference values for each of the torsional anglesATOMS14=31,29,55,54the atoms involved for each of the torsions you wish to calculateREFERENCE14=3.14the reference values for each of the torsional anglesATOMS15=54,52,78,77the atoms involved for each of the torsions you wish to calculateREFERENCE15=3.14the reference values for each of the torsional anglesATOMS16=77,75,101,100the atoms involved for each of the torsions you wish to calculateREFERENCE16=3.14the reference values for each of the torsional anglesATOMS17=100,98,124,123the atoms involved for each of the torsions you wish to calculateREFERENCE17=3.14the reference values for each of the torsional anglesATOMS18=123,121,147,146the atoms involved for each of the torsions you wish to calculateREFERENCE18=3.14the reference values for each of the torsional anglesATOMS19=146,144,170,169the atoms involved for each of the torsions you wish to calculateREFERENCE19=3.14the reference values for each of the torsional anglesATOMS20=169,167,193,192the atoms involved for each of the torsions you wish to calculateREFERENCE20=3.14the reference values for each of the torsional anglesATOMS21=192,190,216,215the atoms involved for each of the torsions you wish to calculateREFERENCE21=3.14the reference values for each of the torsional anglesATOMS22=215,213,239,238the atoms involved for each of the torsions you wish to calculateREFERENCE22=3.14the reference values for each of the torsional anglesATOMS23=238,236,261,259the atoms involved for each of the torsions you wish to calculateREFERENCE23=3.14the reference values for each of the torsional anglesATOMS24=4,3,1,32the atoms involved for each of the torsions you wish to calculateREFERENCE24=3.14the reference values for each of the torsional anglesATOMS25=32,31,29,55the atoms involved for each of the torsions you wish to calculateREFERENCE25=3.14the reference values for each of the torsional anglesATOMS26=55,54,52,78the atoms involved for each of the torsions you wish to calculateREFERENCE26=3.14the reference values for each of the torsional anglesATOMS27=78,77,75,101the atoms involved for each of the torsions you wish to calculateREFERENCE27=3.14the reference values for each of the torsional anglesATOMS28=101,100,98,124the atoms involved for each of the torsions you wish to calculateREFERENCE28=3.14the reference values for each of the torsional anglesATOMS29=124,123,121,147the atoms involved for each of the torsions you wish to calculateREFERENCE29=3.14the reference values for each of the torsional anglesATOMS30=147,146,144,170the atoms involved for each of the torsions you wish to calculateREFERENCE30=3.14the reference values for each of the torsional anglesATOMS31=170,169,167,193the atoms involved for each of the torsions you wish to calculateREFERENCE31=3.14the reference values for each of the torsional anglesATOMS32=193,192,190,216the atoms involved for each of the torsions you wish to calculateREFERENCE32=3.14the reference values for each of the torsional anglesATOMS33=216,215,213,239the atoms involved for each of the torsions you wish to calculateREFERENCE33=3.14the reference values for each of the torsional anglesATOMS34=239,238,236,261the atoms involved for each of the torsions you wish to calculateREFERENCE34=3.14the reference values for each of the torsional anglesLABEL=alpha_d_plus_trans ... ALPHABETAa label for the action so that its output can be referenced in the input to other actions
# alpha+ cisALPHABETA...Calculate the alpha beta CV More detailsATOMS1=24,4,3,1the atoms involved for each of the torsions you wish to calculateREFERENCE1=0.87the reference values for each of the torsional anglesATOMS2=1,32,31,29the atoms involved for each of the torsions you wish to calculateREFERENCE2=0.87the reference values for each of the torsional anglesATOMS3=29,55,54,52the atoms involved for each of the torsions you wish to calculateREFERENCE3=0.87the reference values for each of the torsional anglesATOMS4=52,78,77,75the atoms involved for each of the torsions you wish to calculateREFERENCE4=0.87the reference values for each of the torsional anglesATOMS5=75,101,100,98the atoms involved for each of the torsions you wish to calculateREFERENCE5=0.87the reference values for each of the torsional anglesATOMS6=98,124,123,121the atoms involved for each of the torsions you wish to calculateREFERENCE6=0.87the reference values for each of the torsional anglesATOMS7=121,147,146,144the atoms involved for each of the torsions you wish to calculateREFERENCE7=0.87the reference values for each of the torsional anglesATOMS8=144,170,169,167the atoms involved for each of the torsions you wish to calculateREFERENCE8=0.87the reference values for each of the torsional anglesATOMS9=167,193,192,190the atoms involved for each of the torsions you wish to calculateREFERENCE9=0.87the reference values for each of the torsional anglesATOMS10=190,216,215,213the atoms involved for each of the torsions you wish to calculateREFERENCE10=0.87the reference values for each of the torsional anglesATOMS11=213,239,238,236the atoms involved for each of the torsions you wish to calculateREFERENCE11=0.87the reference values for each of the torsional anglesATOMS12=26,24,4,3the atoms involved for each of the torsions you wish to calculateREFERENCE12=1.0the reference values for each of the torsional anglesATOMS13=3,1,32,31the atoms involved for each of the torsions you wish to calculateREFERENCE13=1.0the reference values for each of the torsional anglesATOMS14=31,29,55,54the atoms involved for each of the torsions you wish to calculateREFERENCE14=1.0the reference values for each of the torsional anglesATOMS15=54,52,78,77the atoms involved for each of the torsions you wish to calculateREFERENCE15=1.0the reference values for each of the torsional anglesATOMS16=77,75,101,100the atoms involved for each of the torsions you wish to calculateREFERENCE16=1.0the reference values for each of the torsional anglesATOMS17=100,98,124,123the atoms involved for each of the torsions you wish to calculateREFERENCE17=1.0the reference values for each of the torsional anglesATOMS18=123,121,147,146the atoms involved for each of the torsions you wish to calculateREFERENCE18=1.0the reference values for each of the torsional anglesATOMS19=146,144,170,169the atoms involved for each of the torsions you wish to calculateREFERENCE19=1.0the reference values for each of the torsional anglesATOMS20=169,167,193,192the atoms involved for each of the torsions you wish to calculateREFERENCE20=1.0the reference values for each of the torsional anglesATOMS21=192,190,216,215the atoms involved for each of the torsions you wish to calculateREFERENCE21=1.0the reference values for each of the torsional anglesATOMS22=215,213,239,238the atoms involved for each of the torsions you wish to calculateREFERENCE22=1.0the reference values for each of the torsional anglesATOMS23=238,236,261,259the atoms involved for each of the torsions you wish to calculateREFERENCE23=1.0the reference values for each of the torsional anglesATOMS24=4,3,1,32the atoms involved for each of the torsions you wish to calculateREFERENCE24=0the reference values for each of the torsional anglesATOMS25=32,31,29,55the atoms involved for each of the torsions you wish to calculateREFERENCE25=0the reference values for each of the torsional anglesATOMS26=55,54,52,78the atoms involved for each of the torsions you wish to calculateREFERENCE26=0the reference values for each of the torsional anglesATOMS27=78,77,75,101the atoms involved for each of the torsions you wish to calculateREFERENCE27=0the reference values for each of the torsional anglesATOMS28=101,100,98,124the atoms involved for each of the torsions you wish to calculateREFERENCE28=0the reference values for each of the torsional anglesATOMS29=124,123,121,147the atoms involved for each of the torsions you wish to calculateREFERENCE29=0the reference values for each of the torsional anglesATOMS30=147,146,144,170the atoms involved for each of the torsions you wish to calculateREFERENCE30=0the reference values for each of the torsional anglesATOMS31=170,169,167,193the atoms involved for each of the torsions you wish to calculateREFERENCE31=0the reference values for each of the torsional anglesATOMS32=193,192,190,216the atoms involved for each of the torsions you wish to calculateREFERENCE32=0the reference values for each of the torsional anglesATOMS33=216,215,213,239the atoms involved for each of the torsions you wish to calculateREFERENCE33=0the reference values for each of the torsional anglesATOMS34=239,238,236,261the atoms involved for each of the torsions you wish to calculateREFERENCE34=0the reference values for each of the torsional anglesLABEL=alpha_plus ... ALPHABETAa label for the action so that its output can be referenced in the input to other actions
# alpha+ transALPHABETA...Calculate the alpha beta CV More detailsATOMS1=24,4,3,1the atoms involved for each of the torsions you wish to calculateREFERENCE1=0.87the reference values for each of the torsional anglesATOMS2=1,32,31,29the atoms involved for each of the torsions you wish to calculateREFERENCE2=0.87the reference values for each of the torsional anglesATOMS3=29,55,54,52the atoms involved for each of the torsions you wish to calculateREFERENCE3=0.87the reference values for each of the torsional anglesATOMS4=52,78,77,75the atoms involved for each of the torsions you wish to calculateREFERENCE4=0.87the reference values for each of the torsional anglesATOMS5=75,101,100,98the atoms involved for each of the torsions you wish to calculateREFERENCE5=0.87the reference values for each of the torsional anglesATOMS6=98,124,123,121the atoms involved for each of the torsions you wish to calculateREFERENCE6=0.87the reference values for each of the torsional anglesATOMS7=121,147,146,144the atoms involved for each of the torsions you wish to calculateREFERENCE7=0.87the reference values for each of the torsional anglesATOMS8=144,170,169,167the atoms involved for each of the torsions you wish to calculateREFERENCE8=0.87the reference values for each of the torsional anglesATOMS9=167,193,192,190the atoms involved for each of the torsions you wish to calculateREFERENCE9=0.87the reference values for each of the torsional anglesATOMS10=190,216,215,213the atoms involved for each of the torsions you wish to calculateREFERENCE10=0.87the reference values for each of the torsional anglesATOMS11=213,239,238,236the atoms involved for each of the torsions you wish to calculateREFERENCE11=0.87the reference values for each of the torsional anglesATOMS12=26,24,4,3the atoms involved for each of the torsions you wish to calculateREFERENCE12=1.0the reference values for each of the torsional anglesATOMS13=3,1,32,31the atoms involved for each of the torsions you wish to calculateREFERENCE13=1.0the reference values for each of the torsional anglesATOMS14=31,29,55,54the atoms involved for each of the torsions you wish to calculateREFERENCE14=1.0the reference values for each of the torsional anglesATOMS15=54,52,78,77the atoms involved for each of the torsions you wish to calculateREFERENCE15=1.0the reference values for each of the torsional anglesATOMS16=77,75,101,100the atoms involved for each of the torsions you wish to calculateREFERENCE16=1.0the reference values for each of the torsional anglesATOMS17=100,98,124,123the atoms involved for each of the torsions you wish to calculateREFERENCE17=1.0the reference values for each of the torsional anglesATOMS18=123,121,147,146the atoms involved for each of the torsions you wish to calculateREFERENCE18=1.0the reference values for each of the torsional anglesATOMS19=146,144,170,169the atoms involved for each of the torsions you wish to calculateREFERENCE19=1.0the reference values for each of the torsional anglesATOMS20=169,167,193,192the atoms involved for each of the torsions you wish to calculateREFERENCE20=1.0the reference values for each of the torsional anglesATOMS21=192,190,216,215the atoms involved for each of the torsions you wish to calculateREFERENCE21=1.0the reference values for each of the torsional anglesATOMS22=215,213,239,238the atoms involved for each of the torsions you wish to calculateREFERENCE22=1.0the reference values for each of the torsional anglesATOMS23=238,236,261,259the atoms involved for each of the torsions you wish to calculateREFERENCE23=1.0the reference values for each of the torsional anglesATOMS24=4,3,1,32the atoms involved for each of the torsions you wish to calculateREFERENCE24=3.14the reference values for each of the torsional anglesATOMS25=32,31,29,55the atoms involved for each of the torsions you wish to calculateREFERENCE25=3.14the reference values for each of the torsional anglesATOMS26=55,54,52,78the atoms involved for each of the torsions you wish to calculateREFERENCE26=3.14the reference values for each of the torsional anglesATOMS27=78,77,75,101the atoms involved for each of the torsions you wish to calculateREFERENCE27=3.14the reference values for each of the torsional anglesATOMS28=101,100,98,124the atoms involved for each of the torsions you wish to calculateREFERENCE28=3.14the reference values for each of the torsional anglesATOMS29=124,123,121,147the atoms involved for each of the torsions you wish to calculateREFERENCE29=3.14the reference values for each of the torsional anglesATOMS30=147,146,144,170the atoms involved for each of the torsions you wish to calculateREFERENCE30=3.14the reference values for each of the torsional anglesATOMS31=170,169,167,193the atoms involved for each of the torsions you wish to calculateREFERENCE31=3.14the reference values for each of the torsional anglesATOMS32=193,192,190,216the atoms involved for each of the torsions you wish to calculateREFERENCE32=3.14the reference values for each of the torsional anglesATOMS33=216,215,213,239the atoms involved for each of the torsions you wish to calculateREFERENCE33=3.14the reference values for each of the torsional anglesATOMS34=239,238,236,261the atoms involved for each of the torsions you wish to calculateREFERENCE34=3.14the reference values for each of the torsional anglesLABEL=alpha_plus_trans ... ALPHABETAa label for the action so that its output can be referenced in the input to other actions
# alpha- cisALPHABETA...Calculate the alpha beta CV More detailsATOMS1=24,4,3,1the atoms involved for each of the torsions you wish to calculateREFERENCE1=-0.87the reference values for each of the torsional anglesATOMS2=1,32,31,29the atoms involved for each of the torsions you wish to calculateREFERENCE2=-0.87the reference values for each of the torsional anglesATOMS3=29,55,54,52the atoms involved for each of the torsions you wish to calculateREFERENCE3=-0.87the reference values for each of the torsional anglesATOMS4=52,78,77,75the atoms involved for each of the torsions you wish to calculateREFERENCE4=-0.87the reference values for each of the torsional anglesATOMS5=75,101,100,98the atoms involved for each of the torsions you wish to calculateREFERENCE5=-0.87the reference values for each of the torsional anglesATOMS6=98,124,123,121the atoms involved for each of the torsions you wish to calculateREFERENCE6=-0.87the reference values for each of the torsional anglesATOMS7=121,147,146,144the atoms involved for each of the torsions you wish to calculateREFERENCE7=-0.87the reference values for each of the torsional anglesATOMS8=144,170,169,167the atoms involved for each of the torsions you wish to calculateREFERENCE8=-0.87the reference values for each of the torsional anglesATOMS9=167,193,192,190the atoms involved for each of the torsions you wish to calculateREFERENCE9=-0.87the reference values for each of the torsional anglesATOMS10=190,216,215,213the atoms involved for each of the torsions you wish to calculateREFERENCE10=-0.87the reference values for each of the torsional anglesATOMS11=213,239,238,236the atoms involved for each of the torsions you wish to calculateREFERENCE11=-0.87the reference values for each of the torsional anglesATOMS12=26,24,4,3the atoms involved for each of the torsions you wish to calculateREFERENCE12=-1.0the reference values for each of the torsional anglesATOMS13=3,1,32,31the atoms involved for each of the torsions you wish to calculateREFERENCE13=-1.0the reference values for each of the torsional anglesATOMS14=31,29,55,54the atoms involved for each of the torsions you wish to calculateREFERENCE14=-1.0the reference values for each of the torsional anglesATOMS15=54,52,78,77the atoms involved for each of the torsions you wish to calculateREFERENCE15=-1.0the reference values for each of the torsional anglesATOMS16=77,75,101,100the atoms involved for each of the torsions you wish to calculateREFERENCE16=-1.0the reference values for each of the torsional anglesATOMS17=100,98,124,123the atoms involved for each of the torsions you wish to calculateREFERENCE17=-1.0the reference values for each of the torsional anglesATOMS18=123,121,147,146the atoms involved for each of the torsions you wish to calculateREFERENCE18=-1.0the reference values for each of the torsional anglesATOMS19=146,144,170,169the atoms involved for each of the torsions you wish to calculateREFERENCE19=-1.0the reference values for each of the torsional anglesATOMS20=169,167,193,192the atoms involved for each of the torsions you wish to calculateREFERENCE20=-1.0the reference values for each of the torsional anglesATOMS21=192,190,216,215the atoms involved for each of the torsions you wish to calculateREFERENCE21=-1.0the reference values for each of the torsional anglesATOMS22=215,213,239,238the atoms involved for each of the torsions you wish to calculateREFERENCE22=-1.0the reference values for each of the torsional anglesATOMS23=238,236,261,259the atoms involved for each of the torsions you wish to calculateREFERENCE23=-1.0the reference values for each of the torsional anglesATOMS24=4,3,1,32the atoms involved for each of the torsions you wish to calculateREFERENCE24=0the reference values for each of the torsional anglesATOMS25=32,31,29,55the atoms involved for each of the torsions you wish to calculateREFERENCE25=0the reference values for each of the torsional anglesATOMS26=55,54,52,78the atoms involved for each of the torsions you wish to calculateREFERENCE26=0the reference values for each of the torsional anglesATOMS27=78,77,75,101the atoms involved for each of the torsions you wish to calculateREFERENCE27=0the reference values for each of the torsional anglesATOMS28=101,100,98,124the atoms involved for each of the torsions you wish to calculateREFERENCE28=0the reference values for each of the torsional anglesATOMS29=124,123,121,147the atoms involved for each of the torsions you wish to calculateREFERENCE29=0the reference values for each of the torsional anglesATOMS30=147,146,144,170the atoms involved for each of the torsions you wish to calculateREFERENCE30=0the reference values for each of the torsional anglesATOMS31=170,169,167,193the atoms involved for each of the torsions you wish to calculateREFERENCE31=0the reference values for each of the torsional anglesATOMS32=193,192,190,216the atoms involved for each of the torsions you wish to calculateREFERENCE32=0the reference values for each of the torsional anglesATOMS33=216,215,213,239the atoms involved for each of the torsions you wish to calculateREFERENCE33=0the reference values for each of the torsional anglesATOMS34=239,238,236,261the atoms involved for each of the torsions you wish to calculateREFERENCE34=0the reference values for each of the torsional anglesLABEL=alpha_minus ... ALPHABETAa label for the action so that its output can be referenced in the input to other actions
# alpha- transALPHABETA...Calculate the alpha beta CV More detailsATOMS1=24,4,3,1the atoms involved for each of the torsions you wish to calculateREFERENCE1=-0.87the reference values for each of the torsional anglesATOMS2=1,32,31,29the atoms involved for each of the torsions you wish to calculateREFERENCE2=-0.87the reference values for each of the torsional anglesATOMS3=29,55,54,52the atoms involved for each of the torsions you wish to calculateREFERENCE3=-0.87the reference values for each of the torsional anglesATOMS4=52,78,77,75the atoms involved for each of the torsions you wish to calculateREFERENCE4=-0.87the reference values for each of the torsional anglesATOMS5=75,101,100,98the atoms involved for each of the torsions you wish to calculateREFERENCE5=-0.87the reference values for each of the torsional anglesATOMS6=98,124,123,121the atoms involved for each of the torsions you wish to calculateREFERENCE6=-0.87the reference values for each of the torsional anglesATOMS7=121,147,146,144the atoms involved for each of the torsions you wish to calculateREFERENCE7=-0.87the reference values for each of the torsional anglesATOMS8=144,170,169,167the atoms involved for each of the torsions you wish to calculateREFERENCE8=-0.87the reference values for each of the torsional anglesATOMS9=167,193,192,190the atoms involved for each of the torsions you wish to calculateREFERENCE9=-0.87the reference values for each of the torsional anglesATOMS10=190,216,215,213the atoms involved for each of the torsions you wish to calculateREFERENCE10=-0.87the reference values for each of the torsional anglesATOMS11=213,239,238,236the atoms involved for each of the torsions you wish to calculateREFERENCE11=-0.87the reference values for each of the torsional anglesATOMS12=26,24,4,3the atoms involved for each of the torsions you wish to calculateREFERENCE12=-1.0the reference values for each of the torsional anglesATOMS13=3,1,32,31the atoms involved for each of the torsions you wish to calculateREFERENCE13=-1.0the reference values for each of the torsional anglesATOMS14=31,29,55,54the atoms involved for each of the torsions you wish to calculateREFERENCE14=-1.0the reference values for each of the torsional anglesATOMS15=54,52,78,77the atoms involved for each of the torsions you wish to calculateREFERENCE15=-1.0the reference values for each of the torsional anglesATOMS16=77,75,101,100the atoms involved for each of the torsions you wish to calculateREFERENCE16=-1.0the reference values for each of the torsional anglesATOMS17=100,98,124,123the atoms involved for each of the torsions you wish to calculateREFERENCE17=-1.0the reference values for each of the torsional anglesATOMS18=123,121,147,146the atoms involved for each of the torsions you wish to calculateREFERENCE18=-1.0the reference values for each of the torsional anglesATOMS19=146,144,170,169the atoms involved for each of the torsions you wish to calculateREFERENCE19=-1.0the reference values for each of the torsional anglesATOMS20=169,167,193,192the atoms involved for each of the torsions you wish to calculateREFERENCE20=-1.0the reference values for each of the torsional anglesATOMS21=192,190,216,215the atoms involved for each of the torsions you wish to calculateREFERENCE21=-1.0the reference values for each of the torsional anglesATOMS22=215,213,239,238the atoms involved for each of the torsions you wish to calculateREFERENCE22=-1.0the reference values for each of the torsional anglesATOMS23=238,236,261,259the atoms involved for each of the torsions you wish to calculateREFERENCE23=-1.0the reference values for each of the torsional anglesATOMS24=4,3,1,32the atoms involved for each of the torsions you wish to calculateREFERENCE24=3.14the reference values for each of the torsional anglesATOMS25=32,31,29,55the atoms involved for each of the torsions you wish to calculateREFERENCE25=3.14the reference values for each of the torsional anglesATOMS26=55,54,52,78the atoms involved for each of the torsions you wish to calculateREFERENCE26=3.14the reference values for each of the torsional anglesATOMS27=78,77,75,101the atoms involved for each of the torsions you wish to calculateREFERENCE27=3.14the reference values for each of the torsional anglesATOMS28=101,100,98,124the atoms involved for each of the torsions you wish to calculateREFERENCE28=3.14the reference values for each of the torsional anglesATOMS29=124,123,121,147the atoms involved for each of the torsions you wish to calculateREFERENCE29=3.14the reference values for each of the torsional anglesATOMS30=147,146,144,170the atoms involved for each of the torsions you wish to calculateREFERENCE30=3.14the reference values for each of the torsional anglesATOMS31=170,169,167,193the atoms involved for each of the torsions you wish to calculateREFERENCE31=3.14the reference values for each of the torsional anglesATOMS32=193,192,190,216the atoms involved for each of the torsions you wish to calculateREFERENCE32=3.14the reference values for each of the torsional anglesATOMS33=216,215,213,239the atoms involved for each of the torsions you wish to calculateREFERENCE33=3.14the reference values for each of the torsional anglesATOMS34=239,238,236,261the atoms involved for each of the torsions you wish to calculateREFERENCE34=3.14the reference values for each of the torsional anglesLABEL=alpha_minus_trans ... ALPHABETAa label for the action so that its output can be referenced in the input to other actions
#c7beta+ cisALPHABETA...Calculate the alpha beta CV More detailsATOMS1=24,4,3,1the atoms involved for each of the torsions you wish to calculateREFERENCE1=2.09the reference values for each of the torsional anglesATOMS2=1,32,31,29the atoms involved for each of the torsions you wish to calculateREFERENCE2=2.09the reference values for each of the torsional anglesATOMS3=29,55,54,52the atoms involved for each of the torsions you wish to calculateREFERENCE3=2.09the reference values for each of the torsional anglesATOMS4=52,78,77,75the atoms involved for each of the torsions you wish to calculateREFERENCE4=2.09the reference values for each of the torsional anglesATOMS5=75,101,100,98the atoms involved for each of the torsions you wish to calculateREFERENCE5=2.09the reference values for each of the torsional anglesATOMS6=98,124,123,121the atoms involved for each of the torsions you wish to calculateREFERENCE6=2.09the reference values for each of the torsional anglesATOMS7=121,147,146,144the atoms involved for each of the torsions you wish to calculateREFERENCE7=2.09the reference values for each of the torsional anglesATOMS8=144,170,169,167the atoms involved for each of the torsions you wish to calculateREFERENCE8=2.09the reference values for each of the torsional anglesATOMS9=167,193,192,190the atoms involved for each of the torsions you wish to calculateREFERENCE9=2.09the reference values for each of the torsional anglesATOMS10=190,216,215,213the atoms involved for each of the torsions you wish to calculateREFERENCE10=2.09the reference values for each of the torsional anglesATOMS11=213,239,238,236the atoms involved for each of the torsions you wish to calculateREFERENCE11=2.09the reference values for each of the torsional anglesATOMS12=26,24,4,3the atoms involved for each of the torsions you wish to calculateREFERENCE12=-1.3the reference values for each of the torsional anglesATOMS13=3,1,32,31the atoms involved for each of the torsions you wish to calculateREFERENCE13=-1.3the reference values for each of the torsional anglesATOMS14=31,29,55,54the atoms involved for each of the torsions you wish to calculateREFERENCE14=-1.3the reference values for each of the torsional anglesATOMS15=54,52,78,77the atoms involved for each of the torsions you wish to calculateREFERENCE15=-1.3the reference values for each of the torsional anglesATOMS16=77,75,101,100the atoms involved for each of the torsions you wish to calculateREFERENCE16=-1.3the reference values for each of the torsional anglesATOMS17=100,98,124,123the atoms involved for each of the torsions you wish to calculateREFERENCE17=-1.3the reference values for each of the torsional anglesATOMS18=123,121,147,146the atoms involved for each of the torsions you wish to calculateREFERENCE18=-1.3the reference values for each of the torsional anglesATOMS19=146,144,170,169the atoms involved for each of the torsions you wish to calculateREFERENCE19=-1.3the reference values for each of the torsional anglesATOMS20=169,167,193,192the atoms involved for each of the torsions you wish to calculateREFERENCE20=-1.3the reference values for each of the torsional anglesATOMS21=192,190,216,215the atoms involved for each of the torsions you wish to calculateREFERENCE21=-1.3the reference values for each of the torsional anglesATOMS22=215,213,239,238the atoms involved for each of the torsions you wish to calculateREFERENCE22=-1.3the reference values for each of the torsional anglesATOMS23=238,236,261,259the atoms involved for each of the torsions you wish to calculateREFERENCE23=-1.3the reference values for each of the torsional anglesATOMS24=4,3,1,32the atoms involved for each of the torsions you wish to calculateREFERENCE24=0the reference values for each of the torsional anglesATOMS25=32,31,29,55the atoms involved for each of the torsions you wish to calculateREFERENCE25=0the reference values for each of the torsional anglesATOMS26=55,54,52,78the atoms involved for each of the torsions you wish to calculateREFERENCE26=0the reference values for each of the torsional anglesATOMS27=78,77,75,101the atoms involved for each of the torsions you wish to calculateREFERENCE27=0the reference values for each of the torsional anglesATOMS28=101,100,98,124the atoms involved for each of the torsions you wish to calculateREFERENCE28=0the reference values for each of the torsional anglesATOMS29=124,123,121,147the atoms involved for each of the torsions you wish to calculateREFERENCE29=0the reference values for each of the torsional anglesATOMS30=147,146,144,170the atoms involved for each of the torsions you wish to calculateREFERENCE30=0the reference values for each of the torsional anglesATOMS31=170,169,167,193the atoms involved for each of the torsions you wish to calculateREFERENCE31=0the reference values for each of the torsional anglesATOMS32=193,192,190,216the atoms involved for each of the torsions you wish to calculateREFERENCE32=0the reference values for each of the torsional anglesATOMS33=216,215,213,239the atoms involved for each of the torsions you wish to calculateREFERENCE33=0the reference values for each of the torsional anglesATOMS34=239,238,236,261the atoms involved for each of the torsions you wish to calculateREFERENCE34=0the reference values for each of the torsional anglesLABEL=c7beta_plus ... ALPHABETAa label for the action so that its output can be referenced in the input to other actions
#c7beta+ transALPHABETA...Calculate the alpha beta CV More detailsATOMS1=24,4,3,1the atoms involved for each of the torsions you wish to calculateREFERENCE1=2.09the reference values for each of the torsional anglesATOMS2=1,32,31,29the atoms involved for each of the torsions you wish to calculateREFERENCE2=2.09the reference values for each of the torsional anglesATOMS3=29,55,54,52the atoms involved for each of the torsions you wish to calculateREFERENCE3=2.09the reference values for each of the torsional anglesATOMS4=52,78,77,75the atoms involved for each of the torsions you wish to calculateREFERENCE4=2.09the reference values for each of the torsional anglesATOMS5=75,101,100,98the atoms involved for each of the torsions you wish to calculateREFERENCE5=2.09the reference values for each of the torsional anglesATOMS6=98,124,123,121the atoms involved for each of the torsions you wish to calculateREFERENCE6=2.09the reference values for each of the torsional anglesATOMS7=121,147,146,144the atoms involved for each of the torsions you wish to calculateREFERENCE7=2.09the reference values for each of the torsional anglesATOMS8=144,170,169,167the atoms involved for each of the torsions you wish to calculateREFERENCE8=2.09the reference values for each of the torsional anglesATOMS9=167,193,192,190the atoms involved for each of the torsions you wish to calculateREFERENCE9=2.09the reference values for each of the torsional anglesATOMS10=190,216,215,213the atoms involved for each of the torsions you wish to calculateREFERENCE10=2.09the reference values for each of the torsional anglesATOMS11=213,239,238,236the atoms involved for each of the torsions you wish to calculateREFERENCE11=2.09the reference values for each of the torsional anglesATOMS12=26,24,4,3the atoms involved for each of the torsions you wish to calculateREFERENCE12=-1.3the reference values for each of the torsional anglesATOMS13=3,1,32,31the atoms involved for each of the torsions you wish to calculateREFERENCE13=-1.3the reference values for each of the torsional anglesATOMS14=31,29,55,54the atoms involved for each of the torsions you wish to calculateREFERENCE14=-1.3the reference values for each of the torsional anglesATOMS15=54,52,78,77the atoms involved for each of the torsions you wish to calculateREFERENCE15=-1.3the reference values for each of the torsional anglesATOMS16=77,75,101,100the atoms involved for each of the torsions you wish to calculateREFERENCE16=-1.3the reference values for each of the torsional anglesATOMS17=100,98,124,123the atoms involved for each of the torsions you wish to calculateREFERENCE17=-1.3the reference values for each of the torsional anglesATOMS18=123,121,147,146the atoms involved for each of the torsions you wish to calculateREFERENCE18=-1.3the reference values for each of the torsional anglesATOMS19=146,144,170,169the atoms involved for each of the torsions you wish to calculateREFERENCE19=-1.3the reference values for each of the torsional anglesATOMS20=169,167,193,192the atoms involved for each of the torsions you wish to calculateREFERENCE20=-1.3the reference values for each of the torsional anglesATOMS21=192,190,216,215the atoms involved for each of the torsions you wish to calculateREFERENCE21=-1.3the reference values for each of the torsional anglesATOMS22=215,213,239,238the atoms involved for each of the torsions you wish to calculateREFERENCE22=-1.3the reference values for each of the torsional anglesATOMS23=238,236,261,259the atoms involved for each of the torsions you wish to calculateREFERENCE23=-1.3the reference values for each of the torsional anglesATOMS24=4,3,1,32the atoms involved for each of the torsions you wish to calculateREFERENCE24=3.14the reference values for each of the torsional anglesATOMS25=32,31,29,55the atoms involved for each of the torsions you wish to calculateREFERENCE25=3.14the reference values for each of the torsional anglesATOMS26=55,54,52,78the atoms involved for each of the torsions you wish to calculateREFERENCE26=3.14the reference values for each of the torsional anglesATOMS27=78,77,75,101the atoms involved for each of the torsions you wish to calculateREFERENCE27=3.14the reference values for each of the torsional anglesATOMS28=101,100,98,124the atoms involved for each of the torsions you wish to calculateREFERENCE28=3.14the reference values for each of the torsional anglesATOMS29=124,123,121,147the atoms involved for each of the torsions you wish to calculateREFERENCE29=3.14the reference values for each of the torsional anglesATOMS30=147,146,144,170the atoms involved for each of the torsions you wish to calculateREFERENCE30=3.14the reference values for each of the torsional anglesATOMS31=170,169,167,193the atoms involved for each of the torsions you wish to calculateREFERENCE31=3.14the reference values for each of the torsional anglesATOMS32=193,192,190,216the atoms involved for each of the torsions you wish to calculateREFERENCE32=3.14the reference values for each of the torsional anglesATOMS33=216,215,213,239the atoms involved for each of the torsions you wish to calculateREFERENCE33=3.14the reference values for each of the torsional anglesATOMS34=239,238,236,261the atoms involved for each of the torsions you wish to calculateREFERENCE34=3.14the reference values for each of the torsional anglesLABEL=c7beta_plus_trans ... ALPHABETAa label for the action so that its output can be referenced in the input to other actions
#c7beta- cisALPHABETA...Calculate the alpha beta CV More detailsATOMS1=24,4,3,1the atoms involved for each of the torsions you wish to calculateREFERENCE1=-2.09the reference values for each of the torsional anglesATOMS2=1,32,31,29the atoms involved for each of the torsions you wish to calculateREFERENCE2=-2.09the reference values for each of the torsional anglesATOMS3=29,55,54,52the atoms involved for each of the torsions you wish to calculateREFERENCE3=-2.09the reference values for each of the torsional anglesATOMS4=52,78,77,75the atoms involved for each of the torsions you wish to calculateREFERENCE4=-2.09the reference values for each of the torsional anglesATOMS5=75,101,100,98the atoms involved for each of the torsions you wish to calculateREFERENCE5=-2.09the reference values for each of the torsional anglesATOMS6=98,124,123,121the atoms involved for each of the torsions you wish to calculateREFERENCE6=-2.09the reference values for each of the torsional anglesATOMS7=121,147,146,144the atoms involved for each of the torsions you wish to calculateREFERENCE7=-2.09the reference values for each of the torsional anglesATOMS8=144,170,169,167the atoms involved for each of the torsions you wish to calculateREFERENCE8=-2.09the reference values for each of the torsional anglesATOMS9=167,193,192,190the atoms involved for each of the torsions you wish to calculateREFERENCE9=-2.09the reference values for each of the torsional anglesATOMS10=190,216,215,213the atoms involved for each of the torsions you wish to calculateREFERENCE10=-2.09the reference values for each of the torsional anglesATOMS11=213,239,238,236the atoms involved for each of the torsions you wish to calculateREFERENCE11=-2.09the reference values for each of the torsional anglesATOMS12=26,24,4,3the atoms involved for each of the torsions you wish to calculateREFERENCE12=1.3the reference values for each of the torsional anglesATOMS13=3,1,32,31the atoms involved for each of the torsions you wish to calculateREFERENCE13=1.3the reference values for each of the torsional anglesATOMS14=31,29,55,54the atoms involved for each of the torsions you wish to calculateREFERENCE14=1.3the reference values for each of the torsional anglesATOMS15=54,52,78,77the atoms involved for each of the torsions you wish to calculateREFERENCE15=1.3the reference values for each of the torsional anglesATOMS16=77,75,101,100the atoms involved for each of the torsions you wish to calculateREFERENCE16=1.3the reference values for each of the torsional anglesATOMS17=100,98,124,123the atoms involved for each of the torsions you wish to calculateREFERENCE17=1.3the reference values for each of the torsional anglesATOMS18=123,121,147,146the atoms involved for each of the torsions you wish to calculateREFERENCE18=1.3the reference values for each of the torsional anglesATOMS19=146,144,170,169the atoms involved for each of the torsions you wish to calculateREFERENCE19=1.3the reference values for each of the torsional anglesATOMS20=169,167,193,192the atoms involved for each of the torsions you wish to calculateREFERENCE20=1.3the reference values for each of the torsional anglesATOMS21=192,190,216,215the atoms involved for each of the torsions you wish to calculateREFERENCE21=1.3the reference values for each of the torsional anglesATOMS22=215,213,239,238the atoms involved for each of the torsions you wish to calculateREFERENCE22=1.3the reference values for each of the torsional anglesATOMS23=238,236,261,259the atoms involved for each of the torsions you wish to calculateREFERENCE23=1.3the reference values for each of the torsional anglesATOMS24=4,3,1,32the atoms involved for each of the torsions you wish to calculateREFERENCE24=0the reference values for each of the torsional anglesATOMS25=32,31,29,55the atoms involved for each of the torsions you wish to calculateREFERENCE25=0the reference values for each of the torsional anglesATOMS26=55,54,52,78the atoms involved for each of the torsions you wish to calculateREFERENCE26=0the reference values for each of the torsional anglesATOMS27=78,77,75,101the atoms involved for each of the torsions you wish to calculateREFERENCE27=0the reference values for each of the torsional anglesATOMS28=101,100,98,124the atoms involved for each of the torsions you wish to calculateREFERENCE28=0the reference values for each of the torsional anglesATOMS29=124,123,121,147the atoms involved for each of the torsions you wish to calculateREFERENCE29=0the reference values for each of the torsional anglesATOMS30=147,146,144,170the atoms involved for each of the torsions you wish to calculateREFERENCE30=0the reference values for each of the torsional anglesATOMS31=170,169,167,193the atoms involved for each of the torsions you wish to calculateREFERENCE31=0the reference values for each of the torsional anglesATOMS32=193,192,190,216the atoms involved for each of the torsions you wish to calculateREFERENCE32=0the reference values for each of the torsional anglesATOMS33=216,215,213,239the atoms involved for each of the torsions you wish to calculateREFERENCE33=0the reference values for each of the torsional anglesATOMS34=239,238,236,261the atoms involved for each of the torsions you wish to calculateREFERENCE34=0the reference values for each of the torsional anglesLABEL=c7beta_minus ... ALPHABETAa label for the action so that its output can be referenced in the input to other actions
#c7beta+ transALPHABETA...Calculate the alpha beta CV More detailsATOMS1=24,4,3,1the atoms involved for each of the torsions you wish to calculateREFERENCE1=-2.09the reference values for each of the torsional anglesATOMS2=1,32,31,29the atoms involved for each of the torsions you wish to calculateREFERENCE2=-2.09the reference values for each of the torsional anglesATOMS3=29,55,54,52the atoms involved for each of the torsions you wish to calculateREFERENCE3=-2.09the reference values for each of the torsional anglesATOMS4=52,78,77,75the atoms involved for each of the torsions you wish to calculateREFERENCE4=-2.09the reference values for each of the torsional anglesATOMS5=75,101,100,98the atoms involved for each of the torsions you wish to calculateREFERENCE5=-2.09the reference values for each of the torsional anglesATOMS6=98,124,123,121the atoms involved for each of the torsions you wish to calculateREFERENCE6=-2.09the reference values for each of the torsional anglesATOMS7=121,147,146,144the atoms involved for each of the torsions you wish to calculateREFERENCE7=-2.09the reference values for each of the torsional anglesATOMS8=144,170,169,167the atoms involved for each of the torsions you wish to calculateREFERENCE8=-2.09the reference values for each of the torsional anglesATOMS9=167,193,192,190the atoms involved for each of the torsions you wish to calculateREFERENCE9=-2.09the reference values for each of the torsional anglesATOMS10=190,216,215,213the atoms involved for each of the torsions you wish to calculateREFERENCE10=-2.09the reference values for each of the torsional anglesATOMS11=213,239,238,236the atoms involved for each of the torsions you wish to calculateREFERENCE11=-2.09the reference values for each of the torsional anglesATOMS12=26,24,4,3the atoms involved for each of the torsions you wish to calculateREFERENCE12=1.3the reference values for each of the torsional anglesATOMS13=3,1,32,31the atoms involved for each of the torsions you wish to calculateREFERENCE13=1.3the reference values for each of the torsional anglesATOMS14=31,29,55,54the atoms involved for each of the torsions you wish to calculateREFERENCE14=1.3the reference values for each of the torsional anglesATOMS15=54,52,78,77the atoms involved for each of the torsions you wish to calculateREFERENCE15=1.3the reference values for each of the torsional anglesATOMS16=77,75,101,100the atoms involved for each of the torsions you wish to calculateREFERENCE16=1.3the reference values for each of the torsional anglesATOMS17=100,98,124,123the atoms involved for each of the torsions you wish to calculateREFERENCE17=1.3the reference values for each of the torsional anglesATOMS18=123,121,147,146the atoms involved for each of the torsions you wish to calculateREFERENCE18=1.3the reference values for each of the torsional anglesATOMS19=146,144,170,169the atoms involved for each of the torsions you wish to calculateREFERENCE19=1.3the reference values for each of the torsional anglesATOMS20=169,167,193,192the atoms involved for each of the torsions you wish to calculateREFERENCE20=1.3the reference values for each of the torsional anglesATOMS21=192,190,216,215the atoms involved for each of the torsions you wish to calculateREFERENCE21=1.3the reference values for each of the torsional anglesATOMS22=215,213,239,238the atoms involved for each of the torsions you wish to calculateREFERENCE22=1.3the reference values for each of the torsional anglesATOMS23=238,236,261,259the atoms involved for each of the torsions you wish to calculateREFERENCE23=1.3the reference values for each of the torsional anglesATOMS24=4,3,1,32the atoms involved for each of the torsions you wish to calculateREFERENCE24=3.14the reference values for each of the torsional anglesATOMS25=32,31,29,55the atoms involved for each of the torsions you wish to calculateREFERENCE25=3.14the reference values for each of the torsional anglesATOMS26=55,54,52,78the atoms involved for each of the torsions you wish to calculateREFERENCE26=3.14the reference values for each of the torsional anglesATOMS27=78,77,75,101the atoms involved for each of the torsions you wish to calculateREFERENCE27=3.14the reference values for each of the torsional anglesATOMS28=101,100,98,124the atoms involved for each of the torsions you wish to calculateREFERENCE28=3.14the reference values for each of the torsional anglesATOMS29=124,123,121,147the atoms involved for each of the torsions you wish to calculateREFERENCE29=3.14the reference values for each of the torsional anglesATOMS30=147,146,144,170the atoms involved for each of the torsions you wish to calculateREFERENCE30=3.14the reference values for each of the torsional anglesATOMS31=170,169,167,193the atoms involved for each of the torsions you wish to calculateREFERENCE31=3.14the reference values for each of the torsional anglesATOMS32=193,192,190,216the atoms involved for each of the torsions you wish to calculateREFERENCE32=3.14the reference values for each of the torsional anglesATOMS33=216,215,213,239the atoms involved for each of the torsions you wish to calculateREFERENCE33=3.14the reference values for each of the torsional anglesATOMS34=239,238,236,261the atoms involved for each of the torsions you wish to calculateREFERENCE34=3.14the reference values for each of the torsional anglesLABEL=c7beta_minus_trans ... ALPHABETAa label for the action so that its output can be referenced in the input to other actions