[gmx-users] Bilayer + Peptide simulation

itai bloch itaibloch at gmail.com
Mon Mar 21 10:56:38 CET 2005


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 (dppc64.pdb).
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 / ffgmx).
Still, I get error messages when using the grompp command.

Suggestions / Examples for such set-up are welcome!


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