[gmx-users] Tabulated potentials and performance

Da-Wei Li lidawei at gmail.com
Mon Jul 19 18:32:00 CEST 2010

It will be very little from my experience. Remember that the dominate
part is the non-bonded force calculation.


On Mon, Jul 19, 2010 at 12:22 PM, ms <devicerandom at gmail.com> wrote:
> Hi,
> Do you know where can I find some information on how using tabulated
> potential affects gmx performance, and how? I have to decide how to project
> a custom model but I don't want to calculate dozens of tables only to find
> that gmx grinds to a halt.
> thanks!
> M.
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