PLUMED-NEST

Project ID: plumID:20.032
Source: Clustering_Sildenafil/solids_setup/solid_analysis/plumed2.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
=133,127 
AXIS
two atoms that define an axis
=127,148 
VECTOR2
two atoms that define a vector
=148,154
The TORSION action with label tA calculates a scalar quantitytB: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=146,135 
AXIS
two atoms that define an axis
=135,128 
VECTOR2
two atoms that define a vector
=128,156
The TORSION action with label tB calculates a scalar quantitytC: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=135,128 
AXIS
two atoms that define an axis
=128,156 
VECTOR2
two atoms that define a vector
=156,168
The TORSION action with label tC calculates a scalar quantitytD: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=135,144 
AXIS
two atoms that define an axis
=144,138 
VECTOR2
two atoms that define a vector
=138,131
The TORSION action with label tD calculates a scalar quantitytE: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=137,141 
AXIS
two atoms that define an axis
=141,172 
VECTOR2
two atoms that define a vector
=172,187
The TORSION action with label tE calculates a scalar quantitytF: 
TORSION
Calculate a torsional angle. More details
 
VECTOR1
two atoms that define a vector
=141,172 
AXIS
two atoms that define an axis
=172,187 
VECTOR2
two atoms that define a vector
=187,183
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_2
ENDPLUMED
Terminate plumed input. More details