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 .
Sumit ,Nagar
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d.g (116 KB)
d.g (116 KB)
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.
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
Sir ,
Currently i am using version Lammps 20150608 (64 bit) .
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 ?
what i wrote in my previous response still applies, provided you do
not manually edit the VMD generated data file, as you are writing in
other e-mails to this mailing list.
axel.
Axel,
Thanks for your support and help i could get the entire file generated in VMD to be read by Lammps code by read_data command.The trick was to specify “atom_style full” before reading the VMD converted file .
Now i want to check the fracture strength of graphene in “x” direction . I want a hint about the commands that i can use from the lammps documentation .Please also send me the link of good books that i need for learning about Molecular dynamics simulation .
With your patience and expertise i can easily solve my task .
Axel,
Thanks for your support and help i could get the entire file generated in
VMD to be read by Lammps code by read_data command.The trick was to specify
"atom_style full" before reading the VMD converted file .
Now i want to check the fracture strength of graphene in "x" direction . I
want a hint about the commands that i can use from the lammps documentation
.Please also send me the link of good books that i need for learning about
Molecular dynamics simulation .
if you are asking a new question, please follow common mailing list
courtesy and don't reply to an existing discussion, but post a new
e-mail with a new, matching subject line.
With your patience and expertise i can easily solve my task .
you seem to be thinking, that i can fill in for your adviser and
explain to you how to do your research. i won't.
i will respond to questions, that are specific to how LAMMPS is
implemented and that cover topics i am interested in.
axel.