[gmx-users] Simulating a large system

Justin Lemkul jalemkul at vt.edu
Mon Apr 8 04:12:11 CEST 2013

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 A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540)


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