[gmx-users] Simulating a large system

[Justin Lemkul]

On Sun, Apr 7, 2013 at 9:55 PM, Juan Antonio Raygoza Garay <raygozag at psu.edu
> wrote:

> Hi, is it possible to instruct gromacs to only perform the dynamics on
> half of the system or protein while ignoring the rest?
>

You can use freezegrps to immobilize whatever you like, but you won't gain
any performance by doing so.

-Justin

-- 

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

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