[gmx-users] Fe atom problems....in simulation

[francesco oteri]

Hi,
You have to had LJ parameters in ffnonbonded.itp file in the subfolder
relative to your force-field

Francesco

Il giorno 16 aprile 2012 11:08, Kamalesh Roy <roy.kamaleshmd at gmail.com> ha
scritto:

> CAn any one siggest me how can I run simulation a protein containing Fe
> atom,
> I have changed the iions.itpfile and included there Fe in residue type.dat
> bu still it is returning an error.
>
> FE parameter not found.
>
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>



-- 
Cordiali saluti, Dr.Oteri Francesco
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120416/64924132/attachment.html>