[gmx-users] pdb2gmx+ACE+NAC

[Erik Lindahl]

Hi,

ACE and NAC are already termini, so instead of having pdb2gmx add 
NH3/COO- termini you should choose interactive selection and then 
'none' both for the C and N terminus.

Cheers,

Erik

On Wednesday, July 23, 2003, at 01:48 PM, Milan Melichercik wrote:

> hi all,
> I have the protein, wthich begins with ACE and ends with NAC "aminoacid
> residue" and I'm trying to convert it into .gro by pdb2gmx. But pdb2gmx
> complains with this error message:
>
> "Fatal error: atom N not found in residue 1ACE while combining tdb and 
> rtp".
>
> What am I doing wrong?
>
> thx
>
> Milan
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