[gmx-users] about MARTINI forcefield
x.periole at rug.nl
Sun Mar 15 19:32:27 CET 2009
The first ting to do would be to read the later papers describing the
of the force field. There you'll find clear examples of how small
This goes in two main steps: i) geometrization: define the number of
bonds, angles, dihedrals to describe the molecule. ii) typography:
bead type to use for each bead. Both steps need to be iterated to get
best result. You'll need experimental data and atomistic simulations
your model to.
On Mar 14, 2009, at 4:08 AM, lammps lammps wrote:
> Hi MARTINI forcefield users,
> I am very interesting in using the MARTINI forcefield for simulating
> my molecules, But I am not very familiar with it. So I hope some
> kind people can help me about its application.
> I want to know if It is suitable for the molecules of attached
> figures. It have TWO joint benzenes and ONE linked benzenes. If it
> is, what I should take care of ?
> Thanks in advance.
> Wende Tian
> Email: wende1225 at gmail.com
> Tel: 025-83595329
> Address: National Laboratory of Solid State Microstructures,
> Nanjing University, Nanjing 210093, China
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