Hi there,
A utility script which reads in the MS Martini forcefield and adds new forcefield types for rings. Marrink et al. defined ring forcefield types as containing two rather than four heavy atoms and hence the bond lengths and van der Waals terms are scaled. This script does the scaling and creates the types for you.
Modules: Materials Visualizer, Mesocite
Version: 4.4
Note that if you are going to use this script, I would advise you to read the main MARTINI paper by Marrink (J. Phys. Chem. B 2007, 111, 7812-7824).
Cheers
Stephen
A utility script which reads in the MS Martini forcefield and adds new forcefield types for rings. Marrink et al. defined ring forcefield types as containing two rather than four heavy atoms and hence the bond lengths and van der Waals terms are scaled. This script does the scaling and creates the types for you.
Modules: Materials Visualizer, Mesocite
Version: 4.4
Note that if you are going to use this script, I would advise you to read the main MARTINI paper by Marrink (J. Phys. Chem. B 2007, 111, 7812-7824).
Cheers
Stephen
