Project ID: plumID:21.025
Source: MU_Ions/T4P_WT_HSE_manganese_100mM/plumed.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
d0: 
DISTANCE
Calculate the distance between a pair of atoms. More details
ATOMS
the pair of atom that we are calculating the distance between
=727,2885 d1:
DISTANCE
Calculate the distance between a pair of atoms. More details
ATOMS
the pair of atom that we are calculating the distance between
=2791,4949 d2:
DISTANCE
Calculate the distance between a pair of atoms. More details
ATOMS
the pair of atom that we are calculating the distance between
=4855,7013 d3:
DISTANCE
Calculate the distance between a pair of atoms. More details
ATOMS
the pair of atom that we are calculating the distance between
=6974,478
uw:
UPPER_WALLS
Defines a wall for the value of one or more collective variables, More details
ARG
the arguments on which the bias is acting
=d0,d1,d2,d3
KAPPA
the force constant for the wall
=1000.0,1000.0,1000.0,1000.0
AT
the positions of the wall
=2.5,2.7,2.5,2.0 lw:
LOWER_WALLS
Defines a wall for the value of one or more collective variables, More details
ARG
the arguments on which the bias is acting
=d0,d1,d2,d3
KAPPA
the force constant for the wall
=1000.0,1000.0,1000.0,1000.0
AT
the positions of the wall
=1.0,1.2,1.0,0.5
PRINT
Print quantities to a file. More details
FILE
the name of the file on which to output these quantities
=COLVAR
ARG
the input for this action is the scalar output from one or more other actions
=d0,d1,d2,d3,uw.bias,lw.bias
STRIDE
the frequency with which the quantities of interest should be output
=50000