GROMOS

From wiki.gromacs.org

GROMOS is is a general-purpose molecular dynamics computer simulation package for the study of biomolecular systems. It also incorporates its own force field covering proteins, nucleotides, sugars etc. and can be applied to chemical and physical systems ranging from glasses and liquid crystals, to polymers and crystals and solutions of biomolecules.

GROMACS supports the GROMOS force fields, with all parameters provided in the distribution for 43a1, 43a2, 43b1, 45a3, 53a5 and 53a6. The GROMOS force fields are united atom force fields, i.e. without explicit aliphatic (non-polar) hydrogens.

• GROMOS 53a6 - in GROMACS format (J. Comput. Chem. 2004 vol 25 pag 1656).
• GROMOS 53a5 - in GROMACS format (J. Comput. Chem. 2004 vol 25 pag 1656).
• GROMOS 43a1p - 43a1 modified to contain SEP (phosphoserine), TPO (phosphothreonine), and PTR (phosphotyrosine) (all PO4^{2-} forms), and SEPH, TPOH, PTRH (PO4H^{-} forms).