Project ID: plumID:22.041
Source: ala4/plumed.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
tested onv2.8
tested onmaster
# vim:ft=plumed
Enables syntax highlighting for PLUMED files in vim. See here for more details.

phi1:
TORSION
Calculate a torsional angle. More details
ATOMS
the four atoms involved in the torsional angle
=5,7,9,15 phi2:
TORSION
Calculate a torsional angle. More details
ATOMS
the four atoms involved in the torsional angle
=15,17,19,25 phi3:
TORSION
Calculate a torsional angle. More details
ATOMS
the four atoms involved in the torsional angle
=25,27,29,35 psi1:
TORSION
Calculate a torsional angle. More details
ATOMS
the four atoms involved in the torsional angle
=7,9,15,17 psi2:
TORSION
Calculate a torsional angle. More details
ATOMS
the four atoms involved in the torsional angle
=17,19,25,27 psi3:
TORSION
Calculate a torsional angle. More details
ATOMS
the four atoms involved in the torsional angle
=27,29,35,37
opes:
OPES_METAD
On-the-fly probability enhanced sampling with metadynamics-like target distribution. More details
TEMP
temperature
=300
ARG
the input for this action is the scalar output from one or more other actions
=phi1,phi2,phi3
PACE
the frequency for kernel deposition
=500
BARRIER
the free energy barrier to be overcome
=40
NLIST
use neighbor list for kernels summation, faster but experimental

PRINT
Print quantities to a file. More details
FILE
the name of the file on which to output these quantities
=COLVAR
STRIDE
the frequency with which the quantities of interest should be output
=500
FMT
the format that should be used to output real numbers
=%g
ARG
the input for this action is the scalar output from one or more other actions
ENDPLUMED
Terminate plumed input. More details
file generated automatically when running the notebook