OpenSMOG and SMOG 2

Simulating SMOG models in OpenMM

Manuscripts   Tutorial   Manual   Download   SMOG-CHECK   Force Field Repo   Version History   OpenSMOG

Beginning with SMOG v2.4, it is possible to create force fields that are written specifically for use with OpenMM. This is enabled through use of the OpenSMOG module, which is provided by the smog-server team. SMOG 2 and OpenSMOG have been co-designed for integrated use. In addition to allowing for utilization of OpenMM GPU-accelerated libraries, the OpenSMOG option of SMOG 2 allows one to design highly customized force fields. Basically, any pair-wise potential energy function may be used for native contacts. Future releases will further expand the range of customizable features.

For more details on the usage of OpenSMOG, see the manuscript, SMOG 2 manual or official OpenSMOG documentation.

OPENSMOG-CHECK (test suite): It is strongly recommended that you verify your installations of OPENSMOG and SMOG2 are compatible. To ensure the two packages are working well together, we have prepared a short set of tests. For now, there is only a beta version available, but it will get the job done. However, if you encounter any issues, please let us know.
Version md5 (.tgz file)
beta daily build
Git repository

Usage instructions can be found in the README file.

Please direct questions and comments to
Page created and maintained by Jeff Noel and Paul Whitford