[gmx-users] How to parametrize a new molecule?

[Herbert de Castro Georg]

Thanks, Justin!



Em sex., 3 de abr. de 2020 às 22:15, Justin Lemkul <jalemkul at vt.edu>
escreveu:

>
>
> On 4/3/20 9:12 PM, Herbert de Castro Georg wrote:
> > Dear users,
> >
> > I want to perform a simulation of a molecule inside DNA. I'm probably
> going
> > to use CHARMM for DNA. But how do I parametrize the molecule?
>
> http://cgenff.umaryland.edu/
>
> -Justin
>
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