Re: [AMBER] (UNKNOWN ATOM TYPE: UA)

From: David Case <dacase.rci.rutgers.edu>
Date: Thu, 24 Feb 2011 17:43:34 -0500

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
>



_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Feb 24 2011 - 15:00:02 PST
Custom Search