[gmx-users] Tabulated potentials and performance

[Da-Wei Li]

I remember the manu states that it won't cost too much compared with
standard potential function form.

dawei

On Mon, Jul 19, 2010 at 1:22 PM, ms <devicerandom at gmail.com> wrote:
> 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.
>
>>
>> dawei
>>
>> 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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