Project ID: plumID:21.050
Source: Rosenau_Grothaus_2021_plumed/plumed_D-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

Click on the labels of the actions for more information on what each action computes
tested onv2.9
tested onmaster
# Distance between lactose holder amino acids
d_211_408: 
DISTANCE
Calculate the distance between a pair of atoms. More details
ATOMS
the pair of atom that we are calculating the distance between
=3333,6237 #c # Center of D150 involving all atoms c_D150:
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=2375-2386 # Center of R410 c_R410:
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=6277-6300 # # Distance between D150 and R410 d_150_410:
DISTANCE
Calculate the distance between a pair of atoms. More details
ATOMS
the pair of atom that we are calculating the distance between
=c_D150,c_R410 #
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=d_211_408,d_150_410
FILE
the name of the file on which to output these quantities
=COLVAR_D-TconTS1-3SL