[gmx-developers] reverse transformation

francesca vitalini francesca.vitalini11 at gmail.com
Fri Jan 27 15:09:19 CET 2012

I posted a message before on the users list, regarding the reverse
transformation with g_fg2cg command. Now I have managed to re-numerate
correctly the residues so that it doesn't complain about it but I have come
across a different problem. When I run the command it doesn't recognize the
ions NA+. So I was wondering if the ions are mapped in the fg_w.itp files
and how or if there is an appropriate .itp file for mapping the ions from
cg to fg.
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