[gmx-users] pdb2gmx without adding missing hydrogens

[Markus O Kaukonen]

Thank's,

I just made a new entry in ffgmx2.rtp
for my odd piece off protein, and it works fine
with pdb2gmx
(however, results may be rubbish, but that is my problem).

Markus


On 24 Jun 2002, David wrote:

> On Mon, 2002-06-24 at 16:19, Markus O Kaukonen wrote:
> > Dear All,
> >
> > I have cut by hand one amino acid off my protein.
> What does this mean? In the middle of a residue?
> You may be fine renaming your residue, to e.g. ACE or NAC. Check the
> database (rtp file).
>
>

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