On Feb 24, 2011, at 4:00 PM, Jorgen Simonsen <jorgen589.gmail.com> wrote:
>
> I am trying to parametrize a novel residue with copper and is bound to
> a nitrogen atom - I try to minimize my model but it is that through
> xleap it does not recognize the atom types as I get the following
> error
>
>
>> loadamberparams His100/hr1.frcmod
> Loading parameters: ./His100/hr1.frcmod
> Reading force field modification type file (frcmod)
> Reading title:
> ## Parameters
> (UNKNOWN ATOM TYPE: UA)
> (UNKNOWN ATOM TYPE: CU)
I don't these are errors, just warnings about a missing addAtom command.
>
> when I try to look at the structure it does not recognize the atoms -
> they look really strange
Are you sure this is more than just a visual problem? You don't say how you did the visualization, or what "really strange" means.
....dac
>
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Received on Thu Feb 24 2011 - 15:00:02 PST
