[gmx-users] fe4s4

[Nilkanta Chowdhury]

will you please guide me. how can I do this?
On May 28, 2016 5:11 PM, "Justin Lemkul" <jalemkul at vt.edu> wrote:

>
>
> On 5/28/16 3:59 AM, Nilkanta Chowdhury wrote:
>
>> Hello friends,
>>                       I want to simulate a protein  molecule boud with a
>> Fe4S4 molecule, in gromacs. How do i generet the topology og this fe4s4
>> molecule.
>>
>
> You need to obtain/derive parameters for it.  That's not a simple species
> to deal with.
>
> -Justin
>
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> Justin A. Lemkul, Ph.D.
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