[gmx-users] Tabulated potentials and performance
devicerandom at gmail.com
Mon Jul 19 19:22:38 CEST 2010
On 19/07/10 17:32, Da-Wei Li wrote:
> It will be very little from my experience. Remember that the dominate
> part is the non-bonded force calculation.
Well, that's exactly what I tabulate.
> On Mon, Jul 19, 2010 at 12:22 PM, ms<devicerandom at gmail.com> wrote:
>> 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.
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