Dear all, I want to know how can I use genbox to fill inside of the pore as well as a layer outside. From the "man genbox" page I try to use -shell with a negative value (?) but it put waters far from the outside of the pore and I think it does not care about the sign. It seems strange to me because when I had 10 10 10 in the last line of my f.gro, by a shell 0.5 or 0.2, I got a layer of few molecule around the pore, but when I change it to 1. 1. 1., the water molecules generated far away. I appreciate if someone tell me (1) how I can add water inside the pore and (2) why changing the box size will give a opposite result. Please advise..Thanks in advance/Jamie
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