[gmx-users] Grid: 19 x 14 x 14 cells

[Belquis Mothana]

Hi,

I got these grid cells when I used pressure coupling. Check ur box size
fluctation. when i got there, my box was exploding, however the
calculation didnt crash. check the trajactory to see if there is big box
size changes.


Belquis


> Dechang Li wrote:
>> Dear all,
>>
>>     During my simulation, in the md.log file there always appeared
>>
>> Grid: 19 x 14 x 14 cells
>> Grid: 18 x 14 x 14 cells
>> Grid: 19 x 14 x 14 cells
>> Grid: 18 x 14 x 14 cells
>> Grid: 19 x 14 x 14 cells
>> Grid: 18 x 14 x 14 cells
>> Grid: 19 x 14 x 14 cells
>>
>>     What did it mean?
> it is the grid used for neighborsearching. this is perfectly normal when
> you have a fluctuating box due to pressure coupling
>>
>> Best regards,
>>
>> 2007-12-2
>> ¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡
>>
>> =========================================
>> Dechang Li, PhD Candidate
>> Department of Engineering Mechanics
>> Tsinghua University
>> Beijing 100084
>> PR China
>>
>> Tel:   +86-10-62773779(O)
>> Email: li.dc06 at gmail.com
>> =========================================¡¡¡¡¡¡¡¡¡¡
>>
>>
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>>
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> David van der Spoel, Ph.D.
> Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
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