kay.gottschalk at weizmann.ac.il
Thu Feb 19 13:58:00 CET 2004
I don't know if I am doing it correctly: I centered my molecule wit
editconf -f input.pdb -center 0 0 0 -o centered.pdb, then tried to
build the box around it with editconf -f centered.pdb -d 0.8 -center 0
0 0. Still it doesn't seem to be centered. It is important that it's
centered? Since we pbc, it should make no difference, I think...
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