Dear all
I have three data file for LAMMPS (related to three chain of specified protein). i want to merge them to one data file and use on LAMMPS, but i don’t know How to do merge? please help me.
Thanks
Farrokh
This is not something you really can (or even should) do within
LAMMPS. For instance, if you have atoms that end up overlapping when
you merge the file, your simulation will blow up.
The way to do this--like the way to build the water system--is to
write a script utility that will do this for you. The main things you
need to watch out for are the possibility of overlaps, as well as the
handling of periodic boundary conditions. The "bookkeeping" aspects of
the problem are relatively straightforward.
--AEI