Create layer on surface
Description
This function takes a surface from a parent system and creates a layer of components on top of it. Similar to the create layer function, it forms a monolayer. To generate multiple layers, this function should be used recursively. Only flat surfaces are supported.
Latest version
Allowed number of parents: 2 or 3
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Parent system
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System to be placed in layer
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System to be placed in layer
| Parameter | Description | Value type | Value restrictions | Default value | Units |
|---|---|---|---|---|---|
Total number of components |
The number of components to insert. We have one entry for each parent component (max 2) |
int |
≥0 |
0 |
N/A |
Orientation |
The orientation of the components to be inserted |
selector |
random, regular |
regular |
N/A |
Curvature of the surface |
The curvature of the surface. Can be either flat or spherical |
selector |
flat, spherical |
flat |
N/A |
Surface normal |
Indicate the direction normal to the surface |
selector |
x, y, z |
z |
N/A |
Surface radius |
Indicate the radius of the spherical surface where the components will be placed |
float |
>0 |
0.0 |
Angstrom |
Surface center |
Indicate the center of the spherical surface where the components will be placed |
float |
any float |
[0.0, 0.0, 0.0] |
Angstrom |
Minimal distance between atoms |
Minimal distance between two inserted components. |
float |
>0 |
2.0 |
Angstrom |
Periodic boundary conditions |
Indicates whether we have periodic boundary conditions in x, y and z |
boolean |
True, False |
[True, True, True] |
N/A |
Seed for random generation |
The seed used in the random generator, -1 can be selected for a random seed |
int |
>-1 |
123 |
N/A |
Enable minimization |
Indicates if a GROMACS energy minimization should be performed to increase the insertion success rate |
boolean |
True, False |
False |
N/A |