Project ID: plumID:21.021
Source: atlas_inputs/LJ-38/plumed_biased.dat
Originally used with PLUMED version: 2.7-mod
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
#UNITSThis command sets the internal units for the code. More detailsNATURALnsa:use natural unitsCOORDINATIONNUMBERCalculate the coordination numbers of atoms so that you can then calculate functions of the distribution of More detailsSPECIES=1-38this keyword is used for colvars such as coordination numberSWITCH={CUBIC D_0=1.25 D_MAX=1.5}the switching function that it used in the construction of the contact matrix
n4:MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=nsathe input to this functionFUNC=exp(-(x-4)*(x-4)/(2*0.5*0.5the function you wish to evaluatePERIODIC=NO n5:if the output of your function is periodic then you should specify the periodicity of the functionMATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=nsathe input to this functionFUNC=exp(-(x-5)*(x-5)/(2*0.5*0.5the function you wish to evaluatePERIODIC=NO n6:if the output of your function is periodic then you should specify the periodicity of the functionMATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=nsathe input to this functionFUNC=exp(-(x-6)*(x-6)/(2*0.5*0.5the function you wish to evaluatePERIODIC=NO n7:if the output of your function is periodic then you should specify the periodicity of the functionMATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=nsathe input to this functionFUNC=exp(-(x-7)*(x-7)/(2*0.5*0.5the function you wish to evaluatePERIODIC=NO n8:if the output of your function is periodic then you should specify the periodicity of the functionMATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=nsathe input to this functionFUNC=exp(-(x-8)*(x-8)/(2*0.5*0.5the function you wish to evaluatePERIODIC=NO n9:if the output of your function is periodic then you should specify the periodicity of the functionMATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=nsathe input to this functionFUNC=exp(-(x-9)*(x-9)/(2*0.5*0.5the function you wish to evaluatePERIODIC=NO n10:if the output of your function is periodic then you should specify the periodicity of the functionMATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=nsathe input to this functionFUNC=exp(-(x-10)*(x-10)/(2*0.5*0.5the function you wish to evaluatePERIODIC=NO n11:if the output of your function is periodic then you should specify the periodicity of the functionMATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More detailsARG=nsathe input to this functionFUNC=exp(-(x-11)*(x-11)/(2*0.5*0.5the function you wish to evaluatePERIODIC=NOif the output of your function is periodic then you should specify the periodicity of the function
at:ATLASARG=n4,n5,n6,n7,n8,n9,n10,n11 REFERENCE=cluster_plumed.dat PACE=200 SIGMA=0.1 BIASFACTOR=5 HEIGHT=0.02 GRID_MAX=5.0 GRID_BIN=500 TEMP=0.12 TRUNCATE_GRIDS ADAPTIVE_WALL=1.0 STATIC_WALL=0.0 REGULARISE=1E-12This action is not part of PLUMED and was included by using a LOAD command More detailsPrint quantities to a file. More detailsARG=n4,n5,n6,n7,n8,n9,n10,n11the input for this action is the scalar output from one or more other actionsFMT=%8.4fthe format that should be used to output real numbersFILE=colvarthe name of the file on which to output these quantitiesSTRIDE=200the frequency with which the quantities of interest should be outputPrint quantities to a file. More detailsARG=at_adaptive_wallthe input for this action is the scalar output from one or more other actionsFMT=%8.4fthe format that should be used to output real numbersFILE=wallthe name of the file on which to output these quantitiesSTRIDE=200the frequency with which the quantities of interest should be outputPrint quantities to a file. More detailsARG=atthe input for this action is the scalar output from one or more other actionsFMT=%8.4fthe format that should be used to output real numbersFILE=biasthe name of the file on which to output these quantitiesSTRIDE=200the frequency with which the quantities of interest should be output