Hi,
I simulate a molecule in a dodecahedron. I used at the step with the editconf: editconf -f name.gro -o name.dod.pdb -bt dodecahedron -d 2.0 After my simulation I looked at the first frame and saw, that at two direction the molecule is actually 2 nm away of my edge, but the at the third edge the molecule is not in the middle, but near the edge. I looked also at the other pdb-files with the water before the simulation, and there the location of the molecule is the same, in my opinion not in the middle of the body. Is this a bug? Or have I done anything wrong? Thanks a lot for your helps! Greets, Birgit --- DI Birgit Hischenhuber Unit for Medical Statistics and Informatics Section for Biomedical Computersimulation and Bioinformatics Medical University of Vienna General Hospital Spitalgasse 23, BT88 A-1090 Vienna
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