SMOG 2
SMOG 2 Template Repository
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. Each set of templates includes 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 | >2.2 |
Page created and maintained by Jeff Noel and Paul Whitford