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[lammps-users] Problem with "reaxc_bond.pl"
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[lammps-users] Problem with "reaxc_bond.pl"


From: meymanat zokaie <meymanatzokaie@...24...>
Date: Mon, 28 May 2018 00:04:16 +0430

Dear lamps-users,

I am a physical chemistry student, being interested in hexane decomposition.
I carried out a ReaxFF simulation for hexane system using the reax/c in LAMMPS. I would like to employ the tool "reaxc_bond.pl" (in tools/reax directory) for analysis. 
When I executed the following command :

./reaxc_bond.pl  bonds.trj 

It printed the following error:

Input for this run:
  Input file = bonds.trj
 Atom types = C H O
Modification of non-creatable array value attempted, subscript -1 at ./reaxc_bond.pl line 69, <INPUT> line 24.

unfortunately, I am not aware what is the origin of error. Would you mind helping me with this problem,please?

Thank you in advance.

--
Kind Regards

Meymanat Zokaie