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! Ming
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