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[lammps-users] Fwd: [lammps-user]Conversion of VMD files to lammps file -Continued
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[lammps-users] Fwd: [lammps-user]Conversion of VMD files to lammps file -Continued


From: sumit nagar <sn971489@...24...>
Date: Sat, 23 Sep 2017 10:45:22 +0530

Sir,

Currently i am getting the error "Unexpected end of data file " while reading this file with read_data command  .This error means lammps hit the end of the data file while attempting to read a section. Something went wrong with the format of data file .I have checked the header information is correct and to the best of my knowledge the file also has correct body structure in accordance with atom_style"full" as all the information like atom ID,molecule ID,atom type q(charge on atom) and its x,y,z coordinates is present .What needs to be done to solve this problem ?
Sumit ,Nagar
M.Tech (Production engg)
B.E (Production and Ind Engg)
MCSA 70-290 ,SQL (Oracle z -007)
ITIL certified ,MCAD 70-306
GATE 2006,2013

---------- Forwarded message ----------
From: Axel Kohlmeyer <akohlmey@...24...>
Date: Fri, Sep 22, 2017 at 8:21 PM
Subject: Re: [lammps-users] [lammps-user]Conversion of VMD files to lammps file -Continued
To: sumit nagar <sn971489@...24...>
Cc: LAMMPS Users Mailing List <lammps-users@lists.sourceforge.net>


On Fri, Sep 22, 2017 at 6:36 AM, sumit nagar <sn971489@...24...> wrote:
> Sir,
>
> This time i have not included any bonds,dihedrals,impropers and angles in my
> graphene sheet created from  VMD and converted to lammps data by tk console
> .The data file looks like the attached file.It is giving  a error Incorrect
> atom format in data file.The documentation says this error comes when number
> of values per atom line in the data file is not consistent with atom style
> .What needs to be changed in the data file ? Will i have to manually edit it

as explained in the documentation for read_data, the file format is
dependent on the choice of atom style.
the error message you quote indicates that this is not given in your
data file. either you have to change the atom style in your LAMMPS
input to match the format that you requested when generating the data
file in VMD, or you have to tell VMD to write out the data file in a
format consistent with the atom style you are using in LAMMPS.
please refer to the relevant documentation for the commands in question.

axel.

> .
>
> Sumit ,Nagar
> M.Tech (Production engg)
> B.E (Production and Ind Engg)
> MCSA 70-290 ,SQL (Oracle z -007)
> ITIL certified ,MCAD 70-306
> GATE 2006,2013
>
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--
Dr. Axel Kohlmeyer  akohlmey@...43...4...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.