Project ID: plumID:22.003
Source: mueller/opes/plumed.dat
Originally used with PLUMED version: 2.8
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
# 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 details NATURAL use natural units

p: POSITIONCalculate the components of the position of an atom. More details ATOMthe atom number=1 mueller: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=p.x,p.y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO ... FUNCthe function you wish to evaluate=0.15*(-200*exp(-(x-1)^2-10*y^2)-100*exp(-x^2-10*(y-0.5)^2)-170*exp(-6.5*(0.5+x)^2+11*(x+0.5)*(y-1.5)-6.5*(y-1.5)^2)+15*exp(0.7*(1+x)^2+0.6*(x+1)*(y-1)+0.7*(y-1)^2)+146.7) ... potential: 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=mueller lwall: LOWER_WALLSDefines a wall for the value of one or more collective variables, More details ARGthe arguments on which the bias is acting=p.x KAPPAthe force constant for the wall=1000 ATthe positions of the wall=-1.3 uwall: UPPER_WALLSDefines a wall for the value of one or more collective variables, More details ARGthe arguments on which the bias is acting=p.x KAPPAthe force constant for the wall=1000 ATthe positions of the wall=+1.0 opes: OPES_METADOn-the-fly probability enhanced sampling with metadynamics-like target distribution. This action has hidden defaults. More details ... ARGthe labels of the scalars on which the bias will act=p.x PACEthe frequency for kernel deposition=500 BARRIERthe free energy barrier to be overcome=20 ...
PRINTPrint quantities to a file. More details FMTthe format that should be used to output real numbers=%g STRIDE the frequency with which the quantities of interest should be output=500 FILEthe name of the file on which to output these quantities=COLVAR ARGthe labels of the values that you would like to print to the file=p.x,p.y,mueller,opes.* ENDPLUMEDTerminate plumed input. More details run with: mkdir $i ../../queue_md.i.sh $i or ../loop_all.sh