**Project ID:** plumID:20.017

**Source:** v-shape-potential/v-shape.plumed.dat

**Originally used with PLUMED version:** 2.7

**Stable:** zipped raw stdout - zipped raw stderr - stderr

**Master:** zipped raw stdout - zipped raw stderr - stderr

d1:DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=1,2the pair of atom that we are calculating the distance betweenCOMPONENTScalculate the x, y and z components of the distance separately and store them as labelff:MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=the input to this functiond1.x,d1.yPERIODIC=NOif the output of your function is periodic then you should specify the periodicity of the functionFUNC=-8*log((exp(-(y-exp(-x))^2/2)+exp(-(y+exp(-x))^2/2))*exp(-x^2/2the function you wish to evaluatebb:BIASVALUETakes the value of one variable and use it as a bias More detailsARG=the input for this action is the scalar output from one or more other actionsfff:FISSTCompute and apply the optimal linear force on an observable to enhance sampling of conformational distributions over a range of applied forces. More detailsMIN_FORCE=-15Minimum force (per CV) to use for samplingMAX_FORCE=15.0Maximum force (per CV) to use for samplingPERIOD=200Steps corresponding to the learning rateNINTERPOLATE=41Number of grid points on which to do interpolationARG=the input for this action is the scalar output from one or more other actionsd1.xKBT=1.0The system temperature in units of KB*TOUT_RESTART=v-shape_fisst-15_15_scale8_seed1.restart.txtOutput file for all information needed to continue FISST simulationOUT_OBSERVABLE=v-shape_fisst-15_15_scale8_seed1.observable.txtOutput file putting weights needed to compute observables at different force valuesOBSERVABLE_FREQ=100CENTER=0The CV value at which the applied bias energy will be zeroPrint quantities to a file. More detailsARG=the input for this action is the scalar output from one or more other actionsd1.x,d1.y,bb.bias,f.d1.x_fbar,f.bias,f.force2FILE=v-shape_fisst-15_15_scale8_seed1.colvar.txtthe name of the file on which to output these quantitiesSTRIDE=100the frequency with which the quantities of interest should be output