[gmx-users] no add extra atoms at N and C terms

[Tsjerk Wassenaar]

Hi Giacomo,

Run pdb2gmx with the -ter flag and select 'none' for both termini.

Best,

 Tsjerk

On 11/9/06, Giacomo Bastianelli <gbastian at pasteur.fr> wrote:
> Dear Users,
>
> I would like to avoid gromacs adding the extra
> atoms (such as hydrogens and hydroxyls) to
> my N-term and C-terms.
> Is there any way to do that?
>
> my best,
>
> Giacomo Bastianelli
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-- 
Tsjerk A. Wassenaar, Ph.D.
post-doc
NMR, Utrecht University,
Padualaan 8,
3584 CH Utrecht, the Netherlands
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