Hello,

I am trying to get the csg-map step to work for the hexane example, but 
using LAMMPS for the atomistic trajectory.  I've successfully gotten it to 
work for the SPC/E water example

I am trying to run with

csg_stat --top topol.xml --trj hexane.nvt.dump --cg hexane.xml --options 
settings.xml

where hexane.nvt.dump is the LAMMPS Dump file

The other files, topol.xml, hexane.xml and settings.xml are attached, which 
I've tried to adapt from the Gromacs hexane atomistic example.

I am getting "attribute name not found", which I think means I must have a 
naming mismatch in the files, but I'm not able to find it.

Any advice?

Thanks.

Josh

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Attachment: hexane.xml
Description: XML document

Attachment: settings.xml
Description: XML document

Attachment: topol.xml
Description: XML document

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