Project ID: plumID:24.001
Source: chorismate_mutase/opes_mm/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

Click on the labels of the actions for more information on what each action computes
```UNITSThis command sets the internal units for the code. More details LENGTHthe units of lengths=A
d1: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5663,5675
d2: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5670,5671
UPPER_WALLSDefines a wall for the value of one or more collective variables, More details ARGthe arguments on which the bias is acting=d1 ATthe positions of the wall=+4.6 KAPPAthe force constant for the wall=1000.0 EXP the powers for the walls=2 LABELa label for the action so that its output can be referenced in the input to other actions=uwall_C-C5

dd: COMBINECalculate a polynomial combination of a set of other variables. More details ARGthe input to this function=d1,d2 COEFFICIENTS the coefficients of the arguments in your function=1,-1 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
t5: TORSIONCalculate a torsional angle. More details ATOMSthe four atoms involved in the torsional angle=5675,5671,5666,5663
#wall on torsion
UPPER_WALLSDefines a wall for the value of one or more collective variables, More details ARGthe arguments on which the bias is acting=t5 ATthe positions of the wall=+1.5 KAPPAthe force constant for the wall=1000.0 EXP the powers for the walls=2 LABELa label for the action so that its output can be referenced in the input to other actions=t5_uwall
LoWER_WALLSDefines a wall for the value of one or more collective variables, More details ARGthe arguments on which the bias is acting=t5 ATthe positions of the wall=-1.0 KAPPAthe force constant for the wall=1000.0 EXP the powers for the walls=2 LABELa label for the action so that its output can be referenced in the input to other actions=t5_lwall
opes: OPES_METADOn-the-fly probability enhanced sampling with metadynamics-like target distribution. More details ...
ARGthe input for this action is the scalar output from one or more other actions=d1,t5
PACEthe frequency for kernel deposition=500
BARRIERthe free energy barrier to be overcome=40
TEMP temperature=300
...

PRINTPrint quantities to a file. More details ARGthe input for this action is the scalar output from one or more other actions=d1,d2,dd,t5,opes FILEthe name of the file on which to output these quantities=COLVAR STRIDE the frequency with which the quantities of interest should be output=500
FLUSHThis command instructs plumed to flush all the open files with a user specified frequency. More details STRIDEthe frequency with which all the open files should be flushed=500
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