Hi,
The b and c box vectors can be such that they both have as x component
half the vector a x-length. Thus together they can cause a shift of 1 full
x length and thus you might need 2 shifts along x.
Berk
> Date: Fri, 28 Nov 2008 09:41:31 +0800
> From: [EMAIL PROTECTED]
> To: [email protected]
> Subject: [gmx-users] Box vector shifts number in x and y/z dimension
>
> Hi all:
>
> In gromacs all atoms are in the rectangular or triclinic unit-cell,
> and in the codes using shifts with periodic boundary condition.
> But why are there only single box vector shifts required in y and z
> dimensions
> but 2 in x dimension ?
>
> Thanks for any help in advance!
>
> xuji
> [EMAIL PROTECTED]
> 2008-11-28
>
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