http://ambermd.org/tutorials/advanced/tutorial20/
This mcpb tutorial will get you started on parameterizing your two zinc
ions. You will need AmberTools 15.
On Wed, Mar 29, 2017 at 10:26 Aishani Prem <aishaniprem.gmail.com> wrote:
> Hi,
> I am trying to calculate the binding free energy of protein dimer.
> When I try to save the topology and coordinate files in tleap using
> saveamberparm I keep running into the error
> Checking Unit.
> FATAL: Atom .R<ZN 2>.A<ZN 1> does not have a type.
> FATAL: Atom .R<CL 53>.A<CL 1> does not have a type.
> FATAL: Atom .R<CL 54>.A<CL 1> does not have a type.
> FATAL: Atom .R<CL 55>.A<CL 1> does not have a type.
> FATAL: Atom .R<ZN 119>.A<ZN 1> does not have a type.
> Failed to generate parameters
> Parameter file was not saved.
>
> I am working on AMBER 14. I tried loading the atomic_ions.lib, but that
> doesn't seem to work. Can anyone help me with this?
>
>
> --
> Thank You and Regards,
> Aishani Chittoor Prem
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>
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Received on Tue Mar 28 2017 - 21:00:03 PDT
