[gmx-developers] remove periodicity
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).
| | |
| _ _ ___,| K. Anton Feenstra |
| / \ / \'| | | IBIVU/Bioinformatics - Free University Amsterdam |
|( | )| | | De Boelelaan 1083A - 1081 HV Amsterdam - Netherlands |
| \_/ \_/ | | | 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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