[gmx-users] reverse transformation
francesca.vitalini11 at gmail.com
Fri Jan 27 15:06:12 CET 2012
I posted a message before 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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