An improved GROMOS96 force field for aliphatic hydrocarbons in the condensed phase

An improved nucleic acid parameter set f

An improved nucleic acid parameter set for the GROMOS force field

✍ Thereza A. Soares; Philippe H. Hünenberger; Mika A. Kastenholz; Vincent Kräutler 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 274 KB

## Abstract Over the past decades, the GROMOS force field for biomolecular simulation has primarily been developed for performing molecular dynamics (MD) simulations of polypeptides and, to a lesser extent, sugars. When applied to DNA, the 43A1 and 45A3 parameter sets of the years 1996 and 2001 pro