[gmx-users] my octane was divided into four parts

David spoel at xray.bmc.uu.se
Sun Sep 21 15:50:02 CEST 2003

On Sun, 2003-09-21 at 13:50, nanyu101 wrote:
> Dear gmx-users,
>   Before i ask my question, I should thanks Dr.Tieleman firstly.My octane slab was sent by Dr.Tieleman.
>   My gro file was sent by Dr.Tieleman. But I failed in minimizing the octane slab normally.I have minimized it withou water firstly, and then I add water in the z direction. When i continued to minimized the water+octane,my octane was divide into four separate parts.Why?

periodic boundary conditions.

Groeten, David.
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

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