Project ID: plumID:19.071
Source: MFI_paper_scripts/convegence_double_well_1D/TTmetaD/plumed_TTmetaD.dat
Originally used with PLUMED version: 2.4
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
p: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=1,2 COMPONENTS calculate the x, y and z components of the distance separately and store them as label ff: MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ARGthe values input to this function=p.x PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO FUNCthe function you wish to evaluate=(-5*x^2+x^4) bb: BIASVALUETakes the value of one variable and use it as a bias More details ARGthe labels of the scalar/vector arguments whose values will be used as a bias on the system=ff METADUsed to performed metadynamics on one or more collective variables. More details ... ARGthe labels of the scalars on which the bias will act=p.x SIGMAthe widths of the Gaussian hills=0.05 HEIGHTthe heights of the Gaussian hills=0.1 PACEthe frequency for hill addition=500 CALC_TRANSITION_BIAS Set to TRUE if you want to compute a metadynamics transition bias V*(t) TTBIASFACTORuse transition tempered metadynamics with this bias factor=5 TTALPHAuse transition tempered metadynamics with this hill size decay exponent parameter=0.1 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=120 GRID_MINthe lower bounds for the grid=-2.7 GRID_MAXthe upper bounds for the grid=2.7 GRID_BINthe number of bins for the grid=500 TRANSITIONWELL0This keyword appears multiple times as TRANSITIONWELL followed by an integer=-1.5 TRANSITIONWELL1This keyword appears multiple times as TRANSITIONWELL followed by an integer=1.5 ... METAD
PRINTPrint quantities to a file. More details FILEthe name of the file on which to output these quantities=position ARGthe labels of the values that you would like to print to the file=p.x