SMOG 2 Template Repository

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One of the key features of SMOG 2 is that the force fields are portable. That is, you can share new models by simply making your template files available. Officially-supported force fields (i.e. those tested by smog-check) are included as part of the default distribution. Other force fields are available here. As force fields are integrated within smog-check, they may be moved to the standard SMOG 2 bundle. Most templates will include a README that provides a detailed description of the model. Please note that not all force fields are supported by official versions of Gromacs. If the force field is only intended for use with a modified (i.e. unofficial) version of Gromacs, then it will be indicated in the README. If you would like to have your force field made available, please contact us.
Force Field Name Description Contributor Reference File md5sum SMOG version
SBM_AA+hydrogen AA model with explicit hydrogens Heiko Lammert .gz 1eb45412bf0a2fcc7e6c88539ed9a962
SBM_AA_charged AA model with charges Jeff Noel .gz 9ac52a720689c2b4bd26fb59f257430c
ENM AA model with elastic network for contacts Jeff Noel .gz a9e23114d88e9a6c40672183b126de65
SBM_AA-amber-bonds AA model with bond angles and lengths from AMBER Paul Whitford Viruses 2020, 12, 1273 .gz 58201035c73acfe3b82b0f202ff4cf14 2.3
AA_glycans_Dodero21 SBM_AA-amber-bonds with glycans added Esteban Dodero Rojas N/A 2.3
AA_PTM_Hassan21 SBM_AA-amber-bonds with modified RNA residues added Asem Hassan N/A 2.3
AA_ions_Wang21 SBM_AA-amber-bonds with effective ion potentials Ailun Wang N/A 2.3

Note: A file name of "N/A" indicates that the templates will be released upon publication.

Page created and maintained by Jeff Noel and Paul Whitford