[gmx-users] table extension

Mark Abraham Mark.Abraham at anu.edu.au
Thu Aug 27 15:21:03 CEST 2009


Omer Markovitch wrote:
> Thanks.
> And what happens if later on it comes back to the cut-off + table-extension
> range?

It would look up a non-random energy and force. If the code never 
noticed the distance was out-of-range, it won't notice it come back into 
range either.

Mark

> Koby Levy research group,
> Weizmann Institute of Science.
> FAX: 972-77-444-7905
> http://www.weizmann.ac.il/sb/faculty_pages/Levy/
> 
> 
> On Thu, Aug 27, 2009 at 11:13, Berk Hess <gmx3 at hotmail.com> wrote:
> 
>> A interaction beyond the cut-off + table-extension will get a random energy
>> and force
>> depending on what is stored in the memory of your computer beyond the table
>>
> 
> 
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