[gmx-users] help on Graphene Nano Sheets

Marcello Cammarata marcello.cammarata at unipa.it
Wed Apr 22 19:22:12 CEST 2015

i am trying to model a Graphene nano sheet GNS on Gromacs-
I follow the advices about the nanotubes presented in the help site.


I run this command to greate the topology:
_g_x2top -f graphene.gro -o cnt.top -ff cnt2_oplsaa_

I got this error message:

GROMACS:      gmx x2top, VERSION 5.0.4
Executable:   /usr/local/gromacs/bin/gmx
Library dir:  /usr/local/gromacs/share/gromacs/top
Command line:
   g_x2top -f graphene.gro -o cnt.top -ff cnt2_oplsaa

Opening force field file 
Opening force field file 
There are 12 name to type translations in file cnt2_oplsaa.ff
Generating bonds from distances...
atom 112
There are 1 different atom types in your sample
Generating angles and dihedrals from bonds...
segmentazion fault (core dump created)

Someone can help me on this?
The graphene force field for nanolayer is the same for nanotube? There 
is something that i have to change?


Marcello Cammarata, Ph.D.

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