it might be helpful to share the entire leap.log file as text (make sure it
only contains a single attempt at building the system, since it appends
each time you run leap)
On Mon, Sep 16, 2024 at 3:08 PM Debarati DasGupta via AMBER <
amber.ambermd.org> wrote:
> Hi experts on the ZAFF research and modeling,
> I am new to modeling proteins with the Zn cation and I am working on
> prepping the system to run a MD on it.
>
> I have two cysteines (named them as CYM) and two histidine's (named as
> HE1) that chelate with the Zn2+ the NE2 chelating with the ZN. { followed
> this suggestion from Pengfei http://archive.ambermd.org/201407/0217.html)
>
> I have pulled in the ZAFF ff and the associated ff19SB the ions and the
> solvent ff. Not sure why I am still unable to get the parameters generated,
> Any ideas on where I should look?
>
> Thanks
>
>
> [cid:794f9367-412a-40ab-a539-9417663b616c]
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Sep 16 2024 - 12:30:03 PDT
