SPICA: Surface Property fItting Coarse grAined model

Parameter and topology files

SPICA

• spica_v2.0.tar.gz -- DOWNLOAD for lipid and protein
  
• Version history
  [28.08.18] v1.0 -- DOWNLOAD First release.
  [01.05.22] v1.1 -- DOWNLOAD Second release. This includes protein model.
  [19.09.23] v2.0 -- Third release. This includes improved protein parameters.
• v2.0 Files:
  - spica_protein_v2.prm: Official SPICA force field file. This file can be read by setup_lmp
  - topology/*.top: Topology files for setup_lmp
  

pSPICA

• pspica_v1.1.tar.gz -- DOWNLOAD for lipid and protein
• Version history
  [04.10.19] v0.0 -- DOWNLOAD First release. This includes only lipid model.
  [18.05.22] v1.0 -- DOWNLOAD Second release. This includes protein model.
  [21.08.23] v1.1 -- Third release. Nonbonded interactions relating to protein model are revised.
• v1.1 Files:
  - pSPICA_protein_v1.1.prm: pSPICA force field file. This file can be read by setup_lmp
  - topology/*.top: Topology files for setup_lmp
  

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.