[gmx-users] Ligand bond

[David Mobley]

The "bond"? Is it covalently bound? If not, what do you mean? Do you get any
warnings when you run grompp?

On 10/18/05, abelius <abelius at gmail.com> wrote:
>
> Dear all,
>
> I'm trying to run a simulation of a ligand bound to an enzyme. To
> produce the *.itp I used the PRODRG server.
> All goes well a first, but when I try to do an EM the bond between
> enzyme and protein breaks.
>
> Does anyone knows how I can fix this ?
>
> thx in advance,
>
> Abel
>
>
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