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 in a single axis, and therefore the barostat must also be set to an anisotropic setting. For this, we recommed the Berendsen barostat. 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 number |
≥0.0, ≤1.0 |
0.0 |
none |
Maximum strain |
Upper limit for the strain, higher values will be ignored |
floating-point number |
>0.0, ≤1.0 |
0.2 |
none |