[gmx-users] Bilayer + Peptide simulation
T.A.Wassenaar at rug.nl
Mon Mar 21 12:24:15 CET 2005
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:
> 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
> 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!
> gmx-users mailing list
> gmx-users at gromacs.org
> Please don't post (un)subscribe requests to the list.
> www interface or send it to
>gmx-users-request at gromacs.org.
More information about the gromacs.org_gmx-users