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