Project ID: plumID:23.021
Source: plumed_metad/system4/metad_syst4.dat
Originally used with PLUMED version: 2.5
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
ring: 
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
=125-196 #heavy atoms dell'anello d1:
DISTANCE
Calculate the distance between a pair of atoms. More details
ATOMS
the pair of atom that we are calculating the distance between
=ring,46 #penultimo O d2:
DISTANCE
Calculate the distance between a pair of atoms. More details
ATOMS
the pair of atom that we are calculating the distance between
=ring,16 d:
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input to this function
=d1,d2
FUNC
the function you wish to evaluate
=y-x
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO t:
TORSION
Calculate a torsional angle. More details
ATOMS
the four atoms involved in the torsional angle
=39,38,29,22
#w1: UPPER_WALLS ARG=d1 AT=2.8 KAPPA=750 #w2: UPPER_WALLS ARG=d2 AT=2.8 KAPPA=750
METAD
Used to performed metadynamics on one or more collective variables. More details
...
LABEL
a label for the action so that its output can be referenced in the input to other actions
=metad
ARG
the input for this action is the scalar output from one or more other actions
=d,t
HEIGHT
the heights of the Gaussian hills
=1
PACE
the frequency for hill addition
=1000
SIGMA
the widths of the Gaussian hills
=0.2,0.2
GRID_MIN
the lower bounds for the grid
=-3,-pi
GRID_MAX
the upper bounds for the grid
=3,pi
GRID_BIN
the number of bins for the grid
=400,300
BIASFACTOR
use well tempered metadynamics and use this bias factor
=30
TEMP
the system temperature - this is only needed if you are doing well-tempered metadynamics
=298
FILE
a file in which the list of added hills is stored
=HILLS
CALC_RCT
calculate the c(t) reweighting factor and use that to obtain the normalized bias [rbias=bias-rct]
... METAD
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,t,metad
FILE
the name of the file on which to output these quantities
=COLVAR
STRIDE
the frequency with which the quantities of interest should be output
=1000