[gmx-users] Error durign Grompp

Mark Abraham mark.abraham at anu.edu.au
Fri Jul 6 05:58:32 CEST 2007

> Dear gmx users:
>         I m carrying a protein explicit solvent simulation  using gromacs
> 3.3,
> then i added water, but in next step, I m getting the following error,
>  grompp -f em.mdp -c try.gro -p A.top -o A_em.tpr

> -------------------------------------------------------
> Program grompp, VERSION 3.3.1
> Source code file: toputil.c, line: 61
> Fatal error:
> Atomtype 'C3' not found!
> -------------------------------------------------------

This mailing list is not a substitute for thinking. Here grompp is telling
you that it didn't find atomtype C3... so work out where it is being used
and whether or not that's a good thing.


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