[gmx-users] genbox -shell

Wang Zhun wangzhun at pumc.edu.cn
Tue Sep 6 15:59:02 CEST 2005

Hi, all,
I tried Genbox  -shell 0.5 and obtained a water layer 0.5 nm in 
thickness around my peptide, but during the MD simulation, the water 
diffused in the whole box in the end. I want to know if -shell choice is 
only to reduce the quantity of water molecule in essence.

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