Project ID: plumID:19.021
Source: ./Trajectories/EDS-flattening-enm/flatten-dihed-mean-target/meant_0.11/gatp-enm-11site_FEStart_eq175ns.range10_init0/gatp-enm-11site_FEStart_eq175ns.range10_init0.10ps.run.20000000.plumed.dat
Originally used with PLUMED version: 2.5b
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 onv2.9
tested onmaster
#cleft_dist
DISTANCE
Calculate the distance between a pair of atoms. More details
ATOMS
the pair of atom that we are calculating the distance between
=2,4
LABEL
a label for the action so that its output can be referenced in the input to other actions
=cleft_dist
TORSION
Calculate a torsional angle. More details
ATOMS
the four atoms involved in the torsional angle
=2,1,3,4
LABEL
a label for the action so that its output can be referenced in the input to other actions
=dihedral
dcn:
COMBINE
Calculate a polynomial combination of a set of other variables. More details
ARG
the input to this function
=dihedral
POWERS
the powers to which you are raising each of the arguments in your function
=1
COEFFICIENTS
the coefficients of the arguments in your function
=-1
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO dc2:
COMBINE
Calculate a polynomial combination of a set of other variables. More details
ARG
the input to this function
=dihedral
POWERS
the powers to which you are raising each of the arguments in your function
=2
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO
#bias mean and variance eds:
EDS
Add a linear bias on a set of observables. More details
ARG
the input for this action is the scalar output from one or more other actions
=dcn
CENTER
The desired centers (equilibrium values) which will be sought during the adaptive linear biasing
=0.11
PERIOD
Steps over which to adjust bias for adaptive or ramping
=1000
OUT_RESTART
Output file for all information needed to continue EDS simulation
=gatp-enm-11site_FEStart_eq175ns.range10_init0.10ps.run.20000000.restart.dat
RANGE
The (starting) maximum increase in coupling constant per PERIOD (in $k_B T $/[BIAS_SCALE unit]) for each CV biased
=10.0
INIT
Starting value for coupling constant
=0
#write every 100 ps
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=cleft_dist,dcn,eds.dcn_coupling,eds.bias,eds.force2
FILE
the name of the file on which to output these quantities
=gatp-enm-11site_FEStart_eq175ns.range10_init0.10ps.run.20000000.colvars.dat
STRIDE
the frequency with which the quantities of interest should be output
=1000