SPICA: Surface Property fItting Coarse grAined model


Step 4. Running simulation

Now, we have the input coordinate and it is time to prepare an input script for LAMMPS. We provide sample input scripts . Explanation of the input script is the same as Step 3 of tutorial for lipid membrane systems and is skipped in this tutorial.

Example input scripts:

  • Equilibration in NVT: Download
  • NPT: Download
  • To run the attached input scripts, invoke following commands:
    lmp -in in.eq -log out.eq.log
    lmp -in in.npt -log out.npt.log

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SPICA Force Field

Research Institute for Interdisciplinary Science (RIIS)
Okayama University