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SPICA: Surface Property fItting Coarse grAined model

SPICA-FF

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



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






Lipid model library has been expanded.








news

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.

SPICA TEAM

Okayama University
Wataru Shinoda
Yusuke Miyazaki
Ryo Urano
Nagoya University (Almini)
Hari Yadav
Akhil Singh
Sangjae Seo
Huihui Liu
Mark Griffiths
Shuhei Kawamoto
Thanks to:
Temple University
Michael L. Klein
Giacomo Fiorin
Chris MacDarmaid
Procter&Gamble
Russell DeVane
University of Friburg
Stefano Vanni
Valeria Zoni