[gmx-users] Re: CMAP error

[Pär Bjelkmar]

Hi,

this residue must have been missed. I fixed this in 4.5 branch.

/Pär

Vidarebefordrat brev:

> Dear Justin,
> 
> Thanks for your advice. You were wright. The problem was solved adding
> the new residue name to residuetypes.dat
> 
> The issue was that when pdb2gmx found an unknown residue name, it
> defined as "Others" system instead of "Protein". As a consequence,
> the chain was capped there, adding a COO- termination to the "last"
> residue of the protein.
> 
> Thanks again for the fast and efficient answer.
> 
> Jon