[gmx-users] Internal coordinates to the topology

Eudes Fileti fileti at iq.usp.br
Fri Sep 1 20:42:51 CEST 2006

Dear gmx-user
I have a crystalline cell with 150 atoms.
Somebody would know to say me as
to generate the pairs (bond), triples (angles)
and quaternios (dihedral) for the topology?
Is there a good program to do this?

For smaller molecules  the Gaussian works fine
but in this case its fails.

I already used PRODRG but I have not sucess...

Thanks in advance

                                      Eudes Eterno Fileti
          Centro de Ciência Naturais e Humanas
                        Universidade Federal do ABC
                                  Rua Santa Adélia, 166
                                            CEP 09210-170
                                               skype: eefileti
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