Project ID: plumID:19.028
Source: ala/round1/plumed.1.dat
Originally used with PLUMED version: 2.3
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
phi:   TORSIONCalculate a torsional angle. More details ATOMSthe four atoms involved in the torsional angle=5,7,9,15       NOPBC ignore the periodic boundary conditions when calculating distances
psi:   TORSIONCalculate a torsional angle. More details ATOMSthe four atoms involved in the torsional angle=7,9,15,17      NOPBC ignore the periodic boundary conditions when calculating distances

ALPHABETACalculate the alpha beta CV This action is a shortcut. More details ATOMS1the atoms involved for each of the torsions you wish to calculate=5,7,9,15 REFERENCEthe reference values for each of the torsional angles=0 LABELa label for the action so that its output can be referenced in the input to other actions=ab1_phi ALPHABETACalculate the alpha beta CV This action is a shortcut. More details ATOMS1the atoms involved for each of the torsions you wish to calculate=5,7,9,15 REFERENCEthe reference values for each of the torsional angles=-1.5708 LABELa label for the action so that its output can be referenced in the input to other actions=ab2_phi ALPHABETACalculate the alpha beta CV This action is a shortcut. More details ATOMS1the atoms involved for each of the torsions you wish to calculate=7,9,15,17 REFERENCEthe reference values for each of the torsional angles=0 LABELa label for the action so that its output can be referenced in the input to other actions=ab1_psi ALPHABETACalculate the alpha beta CV This action is a shortcut. More details ATOMS1the atoms involved for each of the torsions you wish to calculate=7,9,15,17 REFERENCEthe reference values for each of the torsional angles=-1.5708 LABELa label for the action so that its output can be referenced in the input to other actions=ab2_psi

COMBINECalculate a polynomial combination of a set of other variables. More details ... LABELa label for the action so that its output can be referenced in the input to other actions=cos_phi ARGthe values input to this function=ab1_phi COEFFICIENTS the coefficients of the arguments in your function=2.0 PARAMETERS the parameters of the arguments in your function=0.5 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO ... COMBINE
COMBINECalculate a polynomial combination of a set of other variables. More details ... LABELa label for the action so that its output can be referenced in the input to other actions=sin_phi ARGthe values input to this function=ab2_phi COEFFICIENTS the coefficients of the arguments in your function=-2.0 PARAMETERS the parameters of the arguments in your function=0.5 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO ... COMBINE
COMBINECalculate a polynomial combination of a set of other variables. More details ... LABELa label for the action so that its output can be referenced in the input to other actions=cos_psi ARGthe values input to this function=ab1_psi COEFFICIENTS the coefficients of the arguments in your function=2.0 PARAMETERS the parameters of the arguments in your function=0.5 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO ... COMBINE
COMBINECalculate a polynomial combination of a set of other variables. More details ... LABELa label for the action so that its output can be referenced in the input to other actions=sin_psi ARGthe values input to this function=ab2_psi COEFFICIENTS the coefficients of the arguments in your function=-2.0 PARAMETERS the parameters of the arguments in your function=0.5 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO ... COMBINE
COMBINECalculate a polynomial combination of a set of other variables. More details LABELa label for the action so that its output can be referenced in the input to other actions=rc1 ARGthe values input to this function=cos_phi,sin_phi,cos_psi,sin_psi POWERS the powers to which you are raising each of the arguments in your function=1,1,1,1 COEFFICIENTS the coefficients of the arguments in your function=0.2865360759350727,-0.09433915972557924,0.8925838462508046,-0.33509890710374146 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO EXTERNALCalculate a restraint that is defined on a grid that is read during start up This action has hidden defaults. More details ARGthe labels of the scalars on which the bias will act=rc1 FILEthe name of the file containing the external potential=static_bias.1.txt LABELa label for the action so that its output can be referenced in the input to other actions=external1
PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=cos_phi,sin_phi,cos_psi,sin_psi,phi,psi,rc1,external1.bias STRIDE the frequency with which the quantities of interest should be output=1 FILEthe name of the file on which to output these quantities=ala_T300_1