SMOG 2

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