VMD-L Mailing List

From: Ajasja Ljubetič (ajasja.ljubetic_at_gmail.com)
Date: Tue Apr 23 2013 - 14:29:06 CDT

Yes, I have two ideas:

a) Describe exactly what you have done (with warning and error message) as
there is not enough info in your question to help you.
b) delete the surplus atoms of ASP (the oxygen and the proton), rename the
residue to ASN and rebuild using psfgen.

HTH,
Ajasja

On 23 April 2013 20:40, Peter Murphy <pwmurphy_at_dal.ca> wrote:

> Hello everyone,
>
> I am trying to figure out what's going on with the mutator plugin.
> I've used it successfully many times before (mostly for mutating to Trp),
> but seem to be running into problems this time around when trying to mutate
> to ASN. Instead of mutating ASP to ASN, it is giving my V2N?? When I turn
> on a CPK representation of the residue post mutation (V2N) it appears the
> V2N residue matches the structure of ASN almost exactly....
>
> I've run out of ideas... anyone have any thoughts?
>
> Thanks in advance,
>
> Peter
> --
> Ph.D Candidate,
> Dalhousie University
> Halifax, NS
> Canada
>