Thank you for the guidance. I shall browse through for other alternatives.
:)
On Mon, May 28, 2018 at 6:14 PM, Groenhof, Gerrit wrote:
> Hi,
>
> Unfortunately, for this to work
> you need to have both heme and protein in one topology.
>
> best,
>
> gerrit
>
> Tidings and a good day.
>
> Hi,
>
Hi,
Unfortunately, for this to work
you need to have both heme and protein in one topology.
best,
gerrit
Tidings and a good day.
Hi,
I'm looking at a QM-MM/Gromacs optimization for a Heme-CYP system. How do I
take it forward. I've found one strategy using a dummy atom in linker.
However,
