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

[Kamalesh Roy]

Can you send me the parameters I need to use....for FE....


On Mon, Apr 16, 2012 at 2:55 PM, francesco oteri
<francesco.oteri at gmail.com>wrote:

> 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.
>>
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>
>
>
> --
> Cordiali saluti, Dr.Oteri Francesco
>
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