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PostPosted: Tue Feb 05, 2013 7:48 pm 
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I just modified "C" radius in atom_constants.h;

// generated from edited AD4_parameters.data using a script,
// then covalent radius added from en.wikipedia.org/wiki/Atomic_radii_of_the_elements_(data_page)
const atom_kind atom_kind_data[] = { // name, radius, depth, solvation parameter, volume, covalent radius
{ "C", 500.00000, 0.15000, -0.00143, 33.51030, 0.77}, // 0

started with its default value, then up to 500.00, and the results are exactly the same, same poses, same affinity, is this normal? Am i doing something wrong?


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