Project ID: plumID:23.022
Source: input_data/unsupervised/unbiased/plumed.dat
Originally used with PLUMED version: 2.9
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
# vim:ft=plumedEnables syntax highlighting for PLUMED files in vim. See here for more details.UNITSThis command sets the internal units for the code. More detailsNATURALp:use natural unitsPOSITIONCalculate the components of the position of an atom. More detailsATOM=1 ene:the atom numberCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=p.x,p.ythe input to this functionPERIODIC=NOif the output of your function is periodic then you should specify the periodicity of the functionFUNC=0.15*(146.7-280*exp(-15*(x-1)^2+0*(x-1)*(y-0)-10*(y-0)^2)-170*exp(-1*(x-0.2)^2+0*(x-0)*(y-0.5)-10*(y-0.5)^2)-170*exp(-6.5*(x+0.5)^2+11*(x+0.5)*(y-1.5)-6.5*(y-1.5)^2)+15*exp(0.7*(x+1)^2+0.6*(x+1)*(y-1)+0.7*(y-1)^2 pot:the function you wish to evaluateBIASVALUETakes the value of one variable and use it as a bias More detailsARG=enethe input for this action is the scalar output from one or more other actions
lwall:LOWER_WALLSDefines a wall for the value of one or more collective variables, More detailsARG=p.xthe arguments on which the bias is actingKAPPA=1000the force constant for the wallAT=-1.3 uwall:the positions of the wallUPPER_WALLSDefines a wall for the value of one or more collective variables, More detailsARG=p.xthe arguments on which the bias is actingKAPPA=1000the force constant for the wallAT=+1.2the positions of the wallPrint quantities to a file. More detailsSTRIDE=200the frequency with which the quantities of interest should be outputARGthe input for this action is the scalar output from one or more other actionsFILE=COLVARthe name of the file on which to output these quantities