[gmx-users] error in grompp

[Justin Lemkul]

On 10/2/12 11:26 AM, Shine A wrote:
> Sir,
>
>      I am studying the dynamics of membrane proteins using KALP-15 in DPPC.
> But grompp (before minimization of system_inflated.gro) giving error like
> this..
> Fatal error:
> Atomtype LC3 not found
>
> Actually what changes I should do on the system topology, before grompp?
>   I found that atomtype LC3 is found in my dppc.itp file.
>

If you're following my tutorial, then you have skipped a step or not completed 
the force field modifications.  Go back and ensure that ffnonbonded.itp has been 
modified correctly to include the atom types and parameters from lipid.itp.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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