PLUMED-NEST

Project ID: plumID:24.008
Source: Reweighting/plumed_get_weights.dat
Originally used with PLUMED version: 2.4
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

rho: 
READ
Read quantities from a colvar file. More details
 
FILE
the name of the file from which to read these quantities
=rtp_coord.dat 
VALUES
the values to read from the file
=rho 
IGNORE_FORCES
 use this flag if the forces added by any bias can be safely ignored
 
IGNORE_TIME
 ignore the time in the colvar file
The READ action with label rho calculates the following quantities:
 Quantity   
 Description  
rho.value
something calculated by READc: 
READ
Read quantities from a colvar file. More details
 
FILE
the name of the file from which to read these quantities
=all_coordination_45.dat 
VALUES
the values to read from the file
=c 
IGNORE_FORCES
 use this flag if the forces added by any bias can be safely ignored
 
IGNORE_TIME
 ignore the time in the colvar file
The READ action with label c calculates the following quantities:
 Quantity   
 Description  
c.value
something calculated by READmetad: 
READ
Read quantities from a colvar file. More details
 
FILE
the name of the file from which to read these quantities
=metad_data.dat 
VALUES
the values to read from the file
=metad 
IGNORE_FORCES
 use this flag if the forces added by any bias can be safely ignored
 
IGNORE_TIME
 ignore the time in the colvar file

The READ action with label metad calculates the following quantities:
 Quantity   
 Description  
metad.value
something calculated by READweights: 
REWEIGHT_METAD
Calculate the weights configurations should contribute to the histogram in a simulation in which a metadynamics bias acts upon the system. More details
 
TEMP
the system temperature
=300 
ARG
 the biases that must be taken into account when reweighting
=metad.rbias

The REWEIGHT_METAD action with label weights calculates the following quantities:
 Quantity   
 Description  
weights.value
the weight to use for this frame to negate the effect the metadynamics bias
PRINT
Print quantities to a file. More details
 
FILE
the name of the file on which to output these quantities
=COLVAR 
ARG
the input for this action is the scalar output from one or more other actions
=rho,c,weights 
STRIDE
 the frequency with which the quantities of interest should be output
=1 

The PRINT action with label  calculates something
ENDPLUMED
Terminate plumed input. More details