[gmx-users] AdResS - adress_reference_coords

Jakub Krajniak jakub.krajniak at cs.kuleuven.be
Mon May 19 16:00:35 CEST 2014


I have a question related to the AdResS scheme. Mainly how I should 
interpret the width of ex and hy zone in the case of xsplits.

Is it that adress_reference_coords define the center of the ex zone. So 
on the -x and x I have a ex/2.0 and then I have a region with width hy?

Like on this scheme:
|------| hy | ex/2.0 |rf| ex/2.0 | hy |------|

Or I should interpreted it as:
|------| hy | ex     |rf| ex     | hy |------|

where rf is a reference coords

The same question is for the sphere scheme.

Best regards,
Jakub Krajniak

Jakub Krajniak, Computer Science Department @ KU Leuven
mob. +32 477 688 404
room: 200a 01.41

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