PLUMED-NEST

Project ID: plumID:20.032
Source: Clustering_Sildenafil/solids_setup/solid_analysis/plumed19.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

tA: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1204,1198 
AXIS
two atoms that define an axis
=1198,1219 
VECTOR2
two atoms that define a vector
=1219,1225
The TORSION action with label tA calculates a scalar quantitytB: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1217,1206 
AXIS
two atoms that define an axis
=1206,1199 
VECTOR2
two atoms that define a vector
=1199,1227
The TORSION action with label tB calculates a scalar quantitytC: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1206,1199 
AXIS
two atoms that define an axis
=1199,1227 
VECTOR2
two atoms that define a vector
=1227,1239
The TORSION action with label tC calculates a scalar quantitytD: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1206,1215 
AXIS
two atoms that define an axis
=1215,1209 
VECTOR2
two atoms that define a vector
=1209,1202
The TORSION action with label tD calculates a scalar quantitytE: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1208,1212 
AXIS
two atoms that define an axis
=1212,1243 
VECTOR2
two atoms that define a vector
=1243,1258
The TORSION action with label tE calculates a scalar quantitytF: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1212,1243 
AXIS
two atoms that define an axis
=1243,1258 
VECTOR2
two atoms that define a vector
=1258,1254
The TORSION action with label tF calculates a scalar quantity
PRINT
Print quantities to a file. More details
 
ARG
the input for this action is the scalar output from one or more other actions
=tA,tB,tC,tD,tE,tF 
FILE
the name of the file on which to output these quantities
=cluster_data_19
ENDPLUMED
Terminate plumed input. More details