chain.f90 in /tool folder

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1

Hello,

I am new to LAMMPS and MD simulation.

I am trying to generate data file for PEG polymer to do MD simulation.

I am trying to understand chain.f90.
Can anybody explain how I can get the formula

NPbead=3*(PCbead +1) *NPchain

Also I can not understand uses of variable imagex(), imagey(), imagez()

Thanks for any help

Bandy

2

Hello,

I am new to LAMMPS and MD simulation.
I am trying to generate data file for PEG polymer to do MD simulation.

I am trying to understand chain.f90.

​i don't see a chain.f90 file, only chain.f​

Can anybody explain how I can get the formula

NPbead=3*(PCbead +1) *NPchain

​what is this in reference to? there is no mention of either of these terms
in chain.f​

Also I can not understand uses of variable imagex(), imagey(), imagez()

​those are image flags, which are part of the data file format. please see
the documentation for the read_data ​for details.

axel.