[gmx-users] error in grompp
jalemkul at vt.edu
Tue Oct 2 17:32:54 CEST 2012
On 10/2/12 11:26 AM, Shine A wrote:
> I am studying the dynamics of membrane proteins using KALP-15 in DPPC.
> But grompp (before minimization of system_inflated.gro) giving error like
> 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 A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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