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

francesco oteri francesco.oteri at gmail.com
Mon Apr 16 11:25:48 CEST 2012

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


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

> 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.
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Cordiali saluti, Dr.Oteri Francesco
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