On Wed, Jan 18, 2012, Jesper Sørensen wrote:
>
> I am trying to create my system using tleap, but I am an errors
> regarding a magnesium ion.
>
> When in the PDB file it is called
> HETATM 2123 Mg+ Mg+ A 502 45.408 19.600 12.379 1.00 5.17 MG
>
> tleap recognizes it correctly, but when it comes time to output a prmtop
> and crd file it says it does not have parameters for this.
> For atom: .R<Mg+ 317>.A<Mg+ 1> Could not find type: Mg+
Please see
http://archive.ambermd.org/201111/0020.html. (You can find this
by searching on "magnesium mg+" at the archive of the Amber mailing list.)
...dac
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Received on Wed Jan 18 2012 - 09:00:03 PST
