|
Stiffness constant of bond stretching potential |
|
Stiffness constant of angular bending potential |
|
Stiffness constant of torsion potential |
,
|
Bond length and equilibrium bond length |
,
|
Bond angle and equilibrium bond angle |
,
|
Torsion angle and equilibrium torsion angle |
|
Zero-potential distance of Lennard-Jones |
|
Well depth of Lennard-Jones |
|
Distance between the atom and
|
,
|
Maximum and minimum values of the height of bottom after demolding |
,
|
Maximum and minimum values of the width of bottom after demolding |
,
|
Maximum and minimum values of the height of shoulder after demolding |
,
|
Values of the height and width of bottom before demolding |
|
Values of the height of shoulder before demolding |