[gmx-users] Tabulated potentials and performance

[ms]

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.
>> --
>> gmx-users mailing list    gmx-users at gromacs.org
>> http://lists.gromacs.org/mailman/listinfo/gmx-users
>> Please search the archive at http://www.gromacs.org/search before posting!
>> Please don't post (un)subscribe requests to the list. Use the www interface
>> or send it to gmx-users-request at gromacs.org.
>> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
>>