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