Young Modulus

Description

This function calculates the Young modulus of a system under the influence of an external force. For that purpose, the Deformation section in the parent Gromacs simulation node must be activated. The calculation is performed within a range of strain intensity that can be tuned by the user.

Latest version

Allowed number of parents: 1

Parameter	Description	Value type	Value restrictions	Default value	Units
Minimum strain	Lower limit for the strain, smaller values will be ignored	floating-point	≥0.0, ≤1.0	0.0	none
Maximum strain	Upper limit for the strain, higher values will be ignored	floating-point	>0.0, ≤1.0	0.2	none

Parameter

Description

Value type

Value restrictions

Default value

Units

Minimum strain

Lower limit for the strain, smaller values will be ignored

floating-point

≥0.0, ≤1.0

0.0

none

Maximum strain

Upper limit for the strain, higher values will be ignored

floating-point

>0.0, ≤1.0

0.2

none