[gmx-users] reverse transformation

francesca vitalini francesca.vitalini11 at gmail.com
Fri Jan 27 15:06:12 CET 2012


Hi!
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.
Thanks
Francesca
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120127/a4bbd54f/attachment.html>


More information about the gromacs.org_gmx-users mailing list