[gmx-users] atomtype

MGiò magiofer at gmail.com
Wed May 3 15:01:06 CEST 2006


I'm sorry, I realize I didn't mention in my first reply that you should
download the new version of ffgmx modified for describing lipids to be used
with the popc.itp topology file, you can find it at this link:

"Invalid order for directive atomtypes" means that you have called the
various .itp files before calling the ffgmx.itp file, this way gromacs
doesn't know which force field refer to when reading your topologies. The
ffgmx must be the first call.

Hope it helps.

On 5/3/06, mahbubeh zarrabi <zarrab_m at yahoo.com> wrote:
> Hi,everyone,
>   I have tried to use popc.pdb that the coordinates
> are from Tieleman's web to insert a protein.when i use
> ffgmx.itp , there is fetal error:
> atomtype LC3 not found.
> i downloaded ffgmx_lipid but i have a problem:
> fetal error: invalid order for directive atomtypes
> file .....share\top\... line 1
> whould you please help me?
> best regards
> zarrabi
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