[gmx-users] Ligand bond

David Mobley dmobley at gmail.com
Wed Oct 19 03:15:13 CEST 2005


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
>
>
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20051018/8abe2f62/attachment.html>


More information about the gromacs.org_gmx-users mailing list