[gmx-users] fe4s4

[Ullmann, Thomas]

A good starting point to get an idea of the challenges posed by
iron sulfur clusters are the publications of Louis Noodleman.

Good luck,
Thomas.

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R. Thomas Ullmann, PhD
Theoretical & Computational Biophysics
Max Planck Institute for Biophysical Chemistry
Am Fassberg 11
37077 Göttingen, Germany
thomas.ullmann at mpibpc.mpg.de
www.bisb.uni-bayreuth.de/People/ullmannt
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________________________________________
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se [gromacs.org_gmx-users-bounces at maillist.sys.kth.se] on behalf of Nilkanta Chowdhury [nil5two at gmail.com]
Sent: Saturday, May 28, 2016 2:19 PM
To: gmx-users at gromacs.org
Subject: Re: [gmx-users] fe4s4

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.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
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