[gmx-users] genbox -shell

Wang Zhun wangzhun at pumc.edu.cn
Sun Nov 20 10:26:25 CET 2005

Hi, gmxers,

Usage of "genbox -shell" can add a layer of water around my peptide to decrease working load of MD simulation.
I want to know how the thickness of the layer is decided,1nm or 2nm? A too thin layer may provide few water molecules while a too thick layer means unnecessary computation load. I'd like to know others' experience.


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