[gmx-users] Force field parameterization for PAMAM dendrimers
iitdckc at gmail.com
Mon May 18 11:32:48 CEST 2015
We have recently published an article on PAMAM dendrimers. We used oplsaa
forcefield. You can access the paper at
Hope it helps.
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
> but I could not perform any runs!)
> Truly yours,
> Gromacs Users mailing list
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Chandan Kumar Choudhury
National Chemical Laboratory, Pune
*"All work and no play makes Jack a dull boy...”*
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