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.
Okayama University
Wataru Shinoda
Yusuke Miyazaki
Teppei Yamada
Nagoya University (Alumni)
Hari Yadav
Akhil Singh
Sangjae Seo
Huihui Liu
Mark Griffiths
Shuhei Kawamoto
Shogo Harada
Thanks to:
Temple University
Michael L. Klein
Giacomo Fiorin
Chris MacDarmaid
Procter&Gamble
Russell DeVane
University of Friburg
Stefano Vanni
Valeria Zoni
Ashutosh Kumar
"spica-tools" is available on GitHub.