[gmx-users] pdb2gmx atom not found

[Marcelo Fabricio Masman]

Hello Una,
I am not a expert... but I think you have to use NZ (without 1) for LYSH. I
had a similar problem. I hope it is useful for you.

bye

Marcelo


On 3/9/06, Una Bjarnadottir <una.bjarnadottir at ucd.ie> wrote:
>
> Dear users,
>
> I keep getting this error when starting runs;
>
> Opening library file aminoacids.dat
> -------------------------------------------------------
> Program pdb2gmx, VERSION 3.3
> Source code file: add_par.c, line: 221
>
> Fatal error:
> Atom NZ1 not found in rtp database in residue LYSH, it looks a bit like NZ
> -------------------------------------------------------
>
> There is no Atom NZ1 in the .rtp file or the pdb file I'm using. No .top
> file is generated so no run.
>
> I would really appreaciate any comments on how to fix this.
>
> Cheers, Una
>
>
>
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