[gmx-users] Bilayer + Peptide simulation

T.A.Wassenaar T.A.Wassenaar at rug.nl
Mon Mar 21 12:24:15 CET 2005

Hi Itai,

If you think people don't respond swiftly enough, and if 
you decide to send another mail, try to give more 
information, not less. In your previous mail you state 
that grompp can't get an atom type 'X'. I don't know 
Peter's membranes by heart, but I doubt there's such an 
atomtype in there. Can the problem be in the peptide file?



On Mon, 21 Mar 2005 11:56:38 +0200
  itai bloch <itaibloch at gmail.com> wrote:
> Hi,
> I am trying to set up a system for MD which contains:
> Lipid bilayer, water and peptide.
> The lipids are taken from Prof. Tieleman website 
> I have followed the FAQ instruction regarding non amino 
>acid molecules
> and I have created the ".top" and ".gro" for the grompp.
> I also downloaded (as mentioned in several previous 
>question in the
> mailing list) the lipid.itp, dppc.itp (and ffG43a2x / 
> Still, I get error messages when using the grompp 
> Suggestions / Examples for such set-up are welcome!
> Thanks,
> Itai.
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