[gmx-users] adding potassium

Magnus Andersson magnus.andersson at chembio.chalmers.se
Thu Sep 1 15:12:44 CEST 2005


I'm having a problem adding potassium. I added this ion to the following


and pdb2gmx worked fine. Also creating a box & solvation worked. When I
run grompp though, the following error message comes up:

WARNING 1 [file em.mdp, line unknown]:
  Unknown left-hand deltagrid in parameter file

checking input for internal consistency...
calling /lib/cpp...
processing topology...
Generated 279 of the 1225 non-bonded parameter combinations
Cleaning up temporary file gromppZHe8Zw
Fatal error: Atomtype 'K+' not found!

So it seems like I have to add potassium somewhere lese as well...

Anyone knows where?

Greetings / Magnus Andersson

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