[gmx-users] topology problem with x2top

Maria Luisa ml.perrotta at itm.cnr.it
Wed Oct 3 11:32:45 CEST 2018

Dear users,
I need help. I want to build the topology of a polymeric chain of PVDF of
602 atoms, and of a sheet of Graphene Oxide of 202 atoms. I use the
version of gromacs 5.1.4. The problem is that it does not recognize some
atoms in the polymeric chain, and not at all the graphene oxide atoms. I
already worked with the x2top command, I had already created another
executable .n2t file, to complete the missing atoms in the atomname file,
and in the past I built topology for graphene oxide and graphene systems,
but now, all this command with my previous challenge doesn't t work. I'm
doing a thousand tests but I do not know how to do it.

I hope to get help.
Thank you

Maria Luisa Perrotta
Ph.D Student, CNR-ITM
via P.Bucci, 87036 Rende (Cs)
email: ml.perrotta at itm.cnr.it

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