Good afternoon ! I am a student of HUST , China , majoring in flow of nanoscale fluid . I have some problems when using lammps program , and I have trouble dealing with it , I hope you can help me .
A problem occur when I use the read_data command multiply times with different data files to build a complex system . I divide the whole model into three parts , and each of them is written in a respective date file( nanotube.data water.data methane.data ) , I need to read in one file once a time , and exert an operation on it . When I read methane.data after water.data ( as is showed in in.file ), I find the lammps program shows an error message reading “Subsequent read data induced too many bonds per atom” , however , when I read methane.data before water.data ( as is showed in in2.file ) , I find the program runs normally . It arises my question about whether I can specify the bonds number of an atom . Meanwhile , I want to know whether there are some mistakes in my script file .
Think you for reading this envelope , and hoping for your reply!
Good afternoon ! I am a student of HUST , China , majoring in flow of
nanoscale fluid . I have some problems when using lammps program , and I
have trouble dealing with it , I hope you can help me .
A problem occur when I use the read_data command multiply times with
different data files to build a complex system . I divide the whole model
into three parts , and each of them is written in a respective date file(
nanotube.data water.data methane.data ) , I need to read in one file once
a time , and exert an operation on it . When I read methane.data after
water.data ( as is showed in in.file ), I find the lammps program shows an
error message reading "Subsequent read data induced too many bonds per
atom" , however , when I read methane.data before water.data ( as is showed
in in2.file ) , I find the program runs normally . It arises my question
about whether I can specify the bonds number of an atom .
please read the documentation of the "read_data" command carefully. data
structures for atom types and topology and other data is "locked in" with
the first read_data is issued and the simulation box defined.
there are keywords to reserve extra space.
Meanwhile , I want to know whether there are some mistakes in my script
file .
sorry, but this mailing list is not an input file validation service.
you'll have to do what everybody else does and validate your input file
yourself.