[gmx-users] gmx FF with hydrogens for NMR stuff

[Alan Wilter Sousa da Silva]

Despite what said (Do NOT use for new runs), I'm trying to do a MD with 
option 5 FF from pdb2gmx. Whatever I do I stop with a grompp error:

Generated 1232 of the 1431 non-bonded parameter combinations
Cleaning up temporary file gromppnoq8ef
Fatal error: Atomtype 'K' not found!

I would thank any advice here.

Cheers,
Alan

--------------------------
Alan Wilter Sousa da Silva
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D.Sc. - IBCCF/UFRJ
Projeto BioPAUA - HP/LNCC
Petrópolis (RJ), Brasil
www.lncc.br/~alan