Protein

In this tutorial, we show how to generate initial PDB files for protein systems at both CG and AA level, and how to convert those PDB files to LAMMPS compatible input file. For the sake of simplicity, we use a system containing a single peptide (PDBID:1D6X), a single type of lipids (DOPC), and water.

Index

1. Prepare initial configuration
2. Generate topology file of protein
3. Convert PDB file to LAMMPS input file
4. Running simulation

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