Project ID: plumID:19.014
Source: mil-101_paper_setup/plumed_files/plumed_gyration.dat
Originally used with PLUMED version: 2.2
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 onv2.10
tested onmaster
GYRATIONCalculate the radius of gyration, or other properties related to it. More details LABELa label for the action so that its output can be referenced in the input to other actions=gyr ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1-60 MASS_WEIGHTED set the masses of all the atoms equal to one

METADUsed to performed metadynamics on one or more collective variables. More details ...
ARGthe labels of the scalars on which the bias will act=gyr SIGMAthe widths of the Gaussian hills=0.01 HEIGHTthe heights of the Gaussian hills=2.5 PACEthe frequency for hill addition=500
LABELa label for the action so that its output can be referenced in the input to other actions=metad TEMPthe system temperature - this is only needed if you are doing well-tempered metadynamics=298 BIASFACTORuse well tempered metadynamics and use this bias factor=10 FILE a file in which the list of added hills is stored=hills
GRID_MINthe lower bounds for the grid=-0.05 GRID_MAXthe upper bounds for the grid=1.0 GRID_SPACINGthe approximate grid spacing (to be used as an alternative or together with GRID_BIN)=0.002 GRID_SPARSE use a sparse grid to store hills
... METAD

PRINTPrint quantities to a file. More details STRIDE the frequency with which the quantities of interest should be output=100 ARGthe labels of the values that you would like to print to the file=gyr,metad.bias FILEthe name of the file on which to output these quantities=colvar