PLUMED-NEST

Project ID: plumID:20.032
Source: Clustering_Sildenafil/solids_setup/solid_analysis/plumed20.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
=1267,1261 
AXIS
two atoms that define an axis
=1261,1282 
VECTOR2
two atoms that define a vector
=1282,1288
The TORSION action with label tA calculates a scalar quantitytB: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1280,1269 
AXIS
two atoms that define an axis
=1269,1262 
VECTOR2
two atoms that define a vector
=1262,1290
The TORSION action with label tB calculates a scalar quantitytC: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1269,1262 
AXIS
two atoms that define an axis
=1262,1290 
VECTOR2
two atoms that define a vector
=1290,1302
The TORSION action with label tC calculates a scalar quantitytD: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1269,1278 
AXIS
two atoms that define an axis
=1278,1272 
VECTOR2
two atoms that define a vector
=1272,1265
The TORSION action with label tD calculates a scalar quantitytE: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1271,1275 
AXIS
two atoms that define an axis
=1275,1306 
VECTOR2
two atoms that define a vector
=1306,1321
The TORSION action with label tE calculates a scalar quantitytF: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=1275,1306 
AXIS
two atoms that define an axis
=1306,1321 
VECTOR2
two atoms that define a vector
=1321,1317
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_20
ENDPLUMED
Terminate plumed input. More details