PLUMED-NEST

Project ID: plumID:21.021
Source: atlas_inputs/di_pept/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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UNITSThis command sets the internal units for the code. More details ENERGYthe units of energy=kj/mol
The UNITS action with label  calculates somethingt1: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=5,7,9,15
The TORSION action with label t1 calculates the following quantities:
 Quantity   
 Description  
t1.value
the TORSION involving these atomst2: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=7,9,15,17


The TORSION action with label t2 calculates the following quantities:
 Quantity   
 Description  
t2.value
the TORSION involving these atomsat: ATLASThis action is not part of PLUMED and was included by using a LOAD command More details ...
REFERENCE=cluster_plumed.dat PACE=500
ARG=t1,t2
SIGMA=0.10 BIASFACTOR=10 HEIGHT=2.0
GRID_MAX=5.0 GRID_BIN=500 TEMP=300 TRUNCATE_GRIDS
REGULARISE=1E-6
STATIC_WALL=0.0
ADAPTIVE_WALL=1.0
...


PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=t1,t2 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
PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=at,at_wtfact FILEthe name of the file on which to output these quantities=at.gbias STRIDE the frequency with which the quantities of interest should be output=500
PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=at_adaptive_wall FILEthe name of the file on which to output these quantities=wall STRIDE the frequency with which the quantities of interest should be output=500