Project ID: plumID:19.055
Source: AceProNH2/plumed.dat
Originally used with PLUMED version: 2.5.0
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
TORSIONCalculate a torsional angle. More detailsLABEL=angle1a label for the action so that its output can be referenced in the input to other actionsATOMS=1,5,7,17the four atoms involved in the torsional angleMATHEVALAn alias to the ef CUSTOM function. More detailsLABEL=sc1a label for the action so that its output can be referenced in the input to other actionsARG=angle1the input to this functionVAR=a1the names to give each of the arguments in the functionFUNC=cos(a1/2.0the function you wish to evaluatePERIODIC=NOif the output of your function is periodic then you should specify the periodicity of the functionCOMBINECalculate a polynomial combination of a set of other variables. More detailsLABEL=sca label for the action so that its output can be referenced in the input to other actionsARG=sc1the input to this functionPOWERS=2the powers to which you are raising each of the arguments in your functionPERIODIC=NOif the output of your function is periodic then you should specify the periodicity of the functionMETADUsed to performed metadynamics on one or more collective variables. More detailsARG=scthe input for this action is the scalar output from one or more other actionsSIGMA=0.1the widths of the Gaussian hillsHEIGHT=6the heights of the Gaussian hillsPACE=1the frequency for hill additionWALKERS_MPISwitch on MPI version of multiple walkers - not compatible with WALKERS_* options other than WALKERS_DIRFLYING_GAUSSIANSwitch on flying Gaussian method, must be used with WALKERS_MPIFILE=HILLSa file in which the list of added hills is storedLABEL=restrainta label for the action so that its output can be referenced in the input to other actionsPrint quantities to a file. More detailsARG=sc,restraint.biasthe input for this action is the scalar output from one or more other actionsSTRIDE=100the frequency with which the quantities of interest should be outputFILE=COLVARthe name of the file on which to output these quantities