Re: [gmx-users] Coarse graining for Benzene and related molecules

On Thu, 30 Apr 2009 13:40:58 -0500 ROHIT MALSHE mal...@wisc.edu wrote: Hi all, I want to simulate a molecule which has many benzene rings attached to each other. However I want to coarsegrain the system a lot !! Did you look at the Martini CG force field. It should be help full. You can

[gmx-users] Coarse graining for Benzene and related molecules

Hi all, I want to simulate a molecule which has many benzene rings attached to each other. However I want to coarsegrain the system a lot !! I want to represent the center of masses of benzene rings with point masses. For all the parameters, such as bonds, angles, dihedrals I can use similar