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SMOG - The Structure-Based Model ("SMOG") software has been collaboratively developed and maintained by the Whitford and Onuchic groups for the last 10 years. This software has a web-based interface (SMOG 1), which is based on old Fortran code, as well as a more versatile downloadable version (SMOG 2). This software allows one to define and share new variants of structure-based force fields, which can be used with most major MD software packages (Gromacs, NAMD, openMM and LAMMPS). The lead developers are Jeff Noel and Paul Whitford.
OpenSMOG - This is an OpenMM library that provides integrated support for SMOG models, and it is part of the SMOG set of tools supported by the Whitford and Onuchic Groups. With the design structure of OpenMM, OpenSMOG allows one to use SMOG2 to construct more creative versions of SMOG models. The lead developers are Antonio Martins and Vinicius Contessoto.
openAWSEM - An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM. openAWSEM is the last iteration of the AWSEM forcefield family, which is being developed by the Wolynes group. There is a iteration in LAMMPS that is still being used http://awsem-md.org/. The lead developers are Wei Lu and Nick Schafer with collaboration of other members of the Wolynes group.
open3SPN - A Implementation of the 3SPN.2 and 3SPN.2C coarse-grained molecular model of DNA in OpenMM. 3SPN.2 and 3SPN.2C are DNA coarse-grained forcefields developed by the de Pablo group. Each DNA nucleotide is modelled by 3 beads: one bead for the phosphate, a second one for the sugar and a third one nucleobase. These forcefields were adapted by the Wolynes group to model protein-DNA interactions as a complement for the openAWSEM coarse-grained protein forcefield. The lead developers are Carlos Bueno, Wei Lu and Shikai Jin, with feedback from the de Pablo group.
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