[gmx-users] grompp error in peptide-membrane simulations

Mark Abraham Mark.Abraham at anu.edu.au
Sat Mar 3 01:11:05 CET 2007

maite lopez wrote:

> i've changed the atoms of the dppc.itp  file by the atoms of the DPPC
> molecule that appear in the ffG53a5.rtp file (for example LC3 by CH3)
> and run grompp , but it gives :
> Fatal error:
> Atomtype 'C1' not found!
> I don´t  know  how  to convert my  lipids to ffG53a5. Could you
> explain me briefly?

So find where C1 is being referenced, and whether it should be being 
defined elsewhere, and if it isn't defined work out why it isn't.


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