Project ID: plumID:22.001
Source: lammps/CaCO3/metad/plumed.5.dat
Originally used with PLUMED version: 2.8
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
=plumed-common.dat
# INCLUDE FILE=plumed-common.dat
The INCLUDE action with label plumed-common.dat calculates something =A =eV =ps
The UNITS action with label calculates somethingdist: =7345,7346
The DISTANCE action with label dist calculates the following quantities: Quantity | Description |
dist.value | the DISTANCE between this pair of atoms |
...
=coord
=7345
=2-7343:3
={RATIONAL R_0=1.0 D_0=2.1 NN=4 MM=8}
=10
=10
... COORDINATION
The COORDINATION action with label coord calculates the following quantities: Quantity | Description |
coord.value | the value of the coordination |
...
=metad
=dist,coord
=0.2,0.1
=0.025852
=5
=300
=1000
=2,3
=13,10
... METAD
The METAD action with label metad calculates the following quantities: Quantity | Description |
metad.bias | the instantaneous value of the bias potential |
metad.rbias | the instantaneous value of the bias normalized using the c(t) reweighting factor [rbias=bias-rct] |
metad.rct | the reweighting factor c(t) |
...
=dist
=12
=12.0
=2
=1
=0
=wall
... UPPER_WALLS
# --- End of included input ---
The UPPER_WALLS action with label wall calculates the following quantities: Quantity | Description |
wall.bias | the instantaneous value of the bias potential |
wall.force2 | the instantaneous value of the squared force due to this bias potential |
=100 =COLVAR