[gmx-users] MD workstation

Mirco Wahab mirco.wahab at chemie.tu-freiberg.de
Thu Oct 16 12:54:40 CEST 2014

On 16.10.2014 12:02, Hadházi Ádám wrote:
> Dear GMX Stuff and Users,
> I am planning to buy a new MD workstation with 4 GPU (GTX 780 or 970) or 3
> GPU (GTX 980) for 4000$.
> Could you recommend me a setup for this machine?
> 1 or 2 CPU is necessary? 32/64 GB memory? Cooling? Power?

- What system (size, type, natoms) do you plan to simulate?

- Do you have to run *only one single simulation* over long time
   or *some similar simulations* with similar parameters?



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