[gmx-users] Internal coordinates to the topology

[Eudes Fileti]

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
eef

______________________________________
                                      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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