[gmx-users] Multiple protein simulations in a box

[Justin Lemkul]

On 11/2/12 5:52 AM, Rajeswari A. wrote:
> Dear Gromacs Users,
> I want to simulate multiple number of proteins in a box. I am very confused
> in choosing what MD method will be useful to solve my problem. Can i do it
> with regular molecular dynamics simulations? I am not sure whether
> diffusion of solutes are taken care in standard MD. or should i opt
> brownian dynamics for this purpose? Is there any special method where i can
> do simulate multiple proteins in a box?
>

You can use standard MD methodology.  Most of the literature I have seen 
involving multiple proteins does.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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