PLUMED-NEST

Project ID: plumID:21.021
Source: meta_inputs/tetrapept_6D/plumed_biased.dat
Originally used with PLUMED version: 2.7-mod
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

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t1The TORSION action with label t1 calculates the following quantities:
 Quantity   
 Type   
 Description  
t1
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=5,7,9,15
t2The TORSION action with label t2 calculates the following quantities:
 Quantity   
 Type   
 Description  
t2
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=7,9,15,17
t3The TORSION action with label t3 calculates the following quantities:
 Quantity   
 Type   
 Description  
t3
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=15,17,19,25
t4The TORSION action with label t4 calculates the following quantities:
 Quantity   
 Type   
 Description  
t4
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=17,19,25,27
t5The TORSION action with label t5 calculates the following quantities:
 Quantity   
 Type   
 Description  
t5
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=25,27,29,35
t6The TORSION action with label t6 calculates the following quantities:
 Quantity   
 Type   
 Description  
t6
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=27,29,35,37

mtThe METAD action with label mt calculates the following quantities:
 Quantity   
 Type   
 Description  
mt.bias
scalar
the instantaneous value of the bias potential: METADUsed to performed metadynamics on one or more collective variables. This action has hidden defaults. More details ...
PACEthe frequency for hill addition=500
ARGthe labels of the scalars on which the bias will act=t1,t2,t3,t4,t5,t6
SIGMAthe widths of the Gaussian hills=0.2,0.2,0.2,0.2,0.2,0.2  BIASFACTORuse well tempered metadynamics and use this bias factor=10 HEIGHTthe heights of the Gaussian hills=2.0
TEMPthe system temperature - this is only needed if you are doing well-tempered metadynamics=300
...
mt: METADUsed to performed metadynamics on one or more collective variables. This action uses the defaults shown here. More details ...
PACEthe frequency for hill addition=500
ARGthe labels of the scalars on which the bias will act=t1,t2,t3,t4,t5,t6
SIGMAthe widths of the Gaussian hills=0.2,0.2,0.2,0.2,0.2,0.2  BIASFACTORuse well tempered metadynamics and use this bias factor=10 HEIGHTthe heights of the Gaussian hills=2.0
TEMPthe system temperature - this is only needed if you are doing well-tempered metadynamics=300
 FILE a file in which the list of added hills is stored=HILLS
...

PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=t1,t2,t3,t4,t5,t6 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
The PRINT action with label  calculates somethingPRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=mt.bias FILEthe name of the file on which to output these quantities=mt.gbias STRIDE the frequency with which the quantities of interest should be output=500