Blend

Step by step

1. Add the components

   Add component for each polymer with its chains, DP and density; Builder's chain takes the Polymer builder's polymer. Give the composition by weight %, volume % or chain count.

2. Choose the starting morphology

   Mixed (default), Two slabs or Droplet.

3. Set the cell

   Growth density 0.5 g/cm³, and the growth method (best of k trials or Rosenbluth).

4. Press Build blend

   Then compress it in Minimise (target density) and equilibrate. Give each component its own force field with Force field › By group.

The same without the Studio

Every Studio page calls the same core as the caps command and the caps Python package, so a step you clicked can be repeated in a script.

caps blend --components '*CC(*)c1ccccc1,*CC(*)(C)C(=O)OC' --weights 0.5,0.5 \
    --chains 8 --dp 20 --density 0.5 -o blend.data

Where to go next

PrepareForce fieldType every atom from SMARTS rules, set charges, fill any missing term and give each part of a composite its own force field.PrepareMinimiseRemove close contacts, compress a low-density cell to its target and relax the box.