[gmx-users] Cytochrom C

[Dariush Mohammadyani]

Yes, I have PDB file (1HRC.pdb). However, when I try to use "pdb2gmx" I get
this error:

Residue 'HEM' not found in residue topology database

and HEM is Iron ion inside this protein. I do not know which forcefield is
proper to use. I also tried MARTINI force field according their website; I
used martinize.py script; Again I got error.

Regards,
Dariush




On Thu, Jan 5, 2012 at 11:51 AM, Justin A. Lemkul <jalemkul at vt.edu> wrote:

>
>
> Dariush Mohammadyani wrote:
>
>>
>> Hi all,
>>
>> Has anybody made initial configuration for Cytochrom C? Can it be shared
>> with me?
>>
>>
> There are several in the PDB.
>
> -Justin
>
> --
> ==============================**==========
>
> Justin A. Lemkul
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> ICTAS Doctoral Scholar
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> Virginia Tech
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> jalemkul[at]vt.edu | (540) 231-9080
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