Project ID: plumID:21.050
Source: Rosenau_Grothaus_2021_plumed/plumed_TconTS1-3SL.dat
Originally used with PLUMED version: 2.6
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
# Distance between lactose holder amino acids d_211_408:DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=3333,6237 # # Center of D150 involving all atoms c_D150:the pair of atom that we are calculating the distance betweenCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2376-2386 # Center of R410 c_R410:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=6277-6300 # # Distance between D150 and R410 d_150_410:the group of atoms that you are calculating the Gyration Tensor forDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=c_D150,c_R410the pair of atom that we are calculating the distance betweenPrint quantities to a file. More detailsARG=d_211_408,d_150_410the input for this action is the scalar output from one or more other actionsFILE=COLVAR_TconTS1-3SLthe name of the file on which to output these quantitiesSTRIDE=1the frequency with which the quantities of interest should be output