[gmx-users] incorporate multi proteins into a cell?

li ming mingli1986 at gmail.com
Mon Mar 23 09:24:04 CET 2009

Hi! All...

I want to explain my problem in detail.  I just want to do the GPU test of
gromacs simulation. And I just scheme to build cells with consequently
increasing number of proteins--such as 1, 2, 5, 10 et.al--to examine the GPU
efficiency on gromacs simulation. So I want to know how to incorporate multi
protein into a cell?

Because the periodic boundary condition is not supported in OpenMM software
of GPU simulation, So I wanna further information on how to remove the PBC
in the cell?

Any involved comment is appreciated!

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