[gmx-users] grompp does not find atomtype

Dawid das addiw7 at googlemail.com
Thu Jun 26 19:47:28 CEST 2014

Dear Gromacs experts,

I have succesfuly put new atom types into force field expression.
I have managed to run pdb2gms, editconf and genbox.
But when I try
grompp -f minimize.mdp -c mCherry7-solv.gro -p mCherry7.top -o minimize.tpr

then I get an error saying that one od my newly inctroduced atoms is not
found... :|

Fatal error:
Atomtype MH41 not found

I have checked all of the files once again and it is in atomtypes.atp and
aminoacids.rtp. Also all of the defined parameters use names MH41, MH42 and
Why do I get this error?

Best wishes,

Dawid Grabarek

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