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SPICA: Surface Property fItting Coarse grAined model

Downloads

Parameter and topology files

SPICA

  • spica_v1.1.tar.gz -- DOWNLOAD for lipid and protein
  • Version history
    [28.08.18] v1.0 -- First release.
    [01.05.22] v1.1 -- Second release. This includes protein model.
  • v1.1 Files:
    - spica_db.prm: Official SPICA force field file. This file can be read by setup_lmp
    - topology/*.top: Topology files for setup_lmp

pSPICA

  • pSPICA_protein.prm v1.1 -- DOWNLOAD for lipid and protein
  • Version history
    [04.10.19] v1.0 -- First release.
    [18.05.22] v1.1 -- Second release. This includes protein model.

Tools for SPICA FF

spica-tools

  • GitHub repository
  • Version history
    [16.11.22] open-beta version
  • How to use:
    - refer to README in the GitHub repository or its documentation here .

tSPICA

tSPICA Coefficents

  • tSPICA_Coeffs.txt v1.0 -- DOWNLOAD
  • Description of formatting here

tSPICA.py

  • tSPICA.py v1.0 -- DOWNLOAD
  • How to use:
    -
    Usage:
     tSPICA.py <temperature> <pressure> <parameter_file> <coefficients_file>
    • temperature: Given in K
    • pressure: Given in MPa
    • parameter_file: Parameter file for LAMMPS
    • coefficients_file: tSPICA coefficient file
    -
    Output files:
    • t-parameter_file: updated parameter file for tSPICA
  • Please refer to the tutorial for further details here.

SPICA Force Field

Okayama University