[gmx-users] Force field parameterization for PAMAM dendrimers

[Chandan Choudhury]

Dear Farideh,

We have recently published an article on PAMAM dendrimers. We used oplsaa
forcefield. You can access the paper at
http://pubs.rsc.org/en/content/articlelanding/2015/sm/c5sm00854a.

Hope it helps.

Chandan

On Mon, May 18, 2015 at 12:58 PM, faride badalkhani <
farideh.khamseh at gmail.com> wrote:

> Dear all,
>
> I want to perform MD simuations on PAMAM dendrimers, but unfortunately this
> molecule has not been defined in any of the GROMACS force fields.
> Therefore, I should parameterize the force field for my purpose. How should
> I do this procedure?
> (It is mentionable that I read the
> http://www.gromacs.org/Documentation/How-tos/Parameterization
> but I could not perform any runs!)
>
> Truly yours,
> Farideh
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-- 

Chandan Kumar Choudhury
National Chemical Laboratory, Pune
India

*"All work and no play makes Jack a dull boy...”*