[gmx-users] (no subject)

Aina Quintilla aina.quintilla at int.fzk.de
Tue Feb 8 16:35:52 CET 2005


dear gromacs' users,

i am trying to attaach a dye to my protein.
the formula is C31H40N4O3F2B.. the atom B is not even in the list of the
 atoms types gromacs is dealing with.. how can a define a topology for such a
 ligand?

thank you very much in advance




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