[gmx-developers] remove periodicity

Anton Feenstra feenstra at few.vu.nl
Thu Jul 8 09:51:08 CEST 2010


On 07/07/10 23:15, Gaurav Goel wrote:
> Dear Anton,
>
> Thanks for your help with this. I printed out the coordinates from
> 'do_update_md' subroutine and all the values for particle coordinates
> are in the range [0,L], where L is my box size. Does that mean those
> coordinates are already in the 'atom in the box' state?

Don't derive code behaviour by observing the data!

Try to understand the code, its structure, and if you're unsure, ask the 
experts (on this list).


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | IBIVU/Bioinformatics - Free University  Amsterdam     |
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| \_/ \_/ | | | Tel +31 20 59 87783 - Fax +31 20 59 87653 - Room P136 |
|             | Feenstra at few.vu.nl - www.few.vu.nl/~feenstra/         |
|             | "A Pretty Village Burning Makes a Pretty Fire" (David |
|             | Sandstrom)                                            |
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