SPICA Force Field

SPICA is an empirical coarse-grained (CG) force field that is designed to reproduce thermodynamic quantities, such as surface/interfacial tension and density, as well as distribution functions obtained from all-atom molecular simulations based on the CHARMM force field. The SPICA force field adopts the CG model library of so-called SDK (Shinoda-DeVane-Klein) CG force field, but includes a larger molecular library with the improved quality of CG parameters. This page provides the updated force field data (topology and parameter), molecular dynamics (MD) simulation protocols and useful computational tools to simulate biological or soft material systems using the SPICA force field.

topics

"spica-tools" is available on GitHub.

Protein and peptide models are now available in SPICA and pSPICA FF.

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Lipid model library has been expanded.

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news

September 19, 2023

Release a new version of SPICA FF.

August, 21, 2023

Release a new version of pSPICA FF.

November 16, 2022

spica-tools is now available and the tutorial has been updated.

August 3, 2022

CG-SPICA package (formerly named CG-SDK) is officially supported in LAMMPS.

May 18, 2022

Add protein models for SPICA and pSPICA FF.

April 30, 2022

New tutorials

October 4, 2019

Add the pSPICA pages.

August 15, 2019

Add the tSPICA pages.

December 7, 2018

Update the website.

August 30, 2018

Open the SPICA website.