Hello
I don't know what RADII parametrization use in delphi:
1) RADII in prmtop by writing "set default PBradii pbamber"
2) radii extracted from a .crd by using ptraj
because I don't understand the difference between them.
I also would very grateful if somebody could give me some reference.
Thanks in advance.
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Received on Thu Jul 17 2003 - 10:53:01 PDT