[gmx-users] genion and *.gro-file error ?

[Marc Saric]

Hi,

I detected some strange behaviour of genion:

When adding a number of Na-ions to a given topology with

genion -s "em.tpr" -o infile -g genion.log" -pot makeion.pdb -np 10

I get a modified *.gro-file in which the last 4 Na-Atoms are'nt named Na but

29994Na      Na95590   5.179   7.171   7.851
29995 ???    Na95591   5.045   8.313   7.395
29996 ???    Na95592   6.199   2.910   7.517
29997 ???    Na95593   7.428  -0.343   7.807
29998 ???    Na95594   9.541   2.451   7.469

which of course can be corrected manually, but I think this is a bit 
strange...

Any hints?

-- 
Bye,  Marc Saric

Max-Planck-Institut fuer molekulare Physiologie
Otto-Hahn-Str.11  44227 Dortmund  phone:0231/133-2168