Dear all, I do not manage to add potassium ions to my system correctly. I foraged in the mailing list and tried to follow all advices, but it does not work out for me. It would be great if anybody could give me some advice.
(here my so-far futile- procedure) 1................................ in my ions.itp (corretly indicated in topol.top) [ moleculetype ] ; molname nrexcl K 1 [ atoms ] ; id at type res nr residu name at name cg nr charge mass 1 K+ 1 K K 1 1 39.0983 2............................... in my atomtypes.atm K+ 39.0983 ; added by markus 3....................... I proceed with genion_gcc -c x.gro -s ions.tpr -p x.top -pname K -np X (which works out -potassium is added) 4....................... However, any further use of grompp results in Fatal error: Atomtype K+ not found Cheers Markus
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