ERROR: Unexpected end of molecule file

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1

I apologize but I can’t seem to understand this ‘the group specified in the fix deposit command’.My understanding of what you’re saying is that once the fix deposit is defined, the atoms inserted by this fix are grouped together. My question was what should the group-ID be when defining the fix?

Thanks

2

I apologize but I can't seem to understand this 'the group specified in the
fix deposit command'.My understanding of what you're saying is that once the
fix deposit is defined, the atoms inserted by this fix are grouped together.
My question was what should the group-ID be when defining the fix?

which *is* what the documentation explains. i suggest you spend some
time re-reading:
http://lammps.sandia.gov/doc/group.html and
http://lammps.sandia.gov/doc/fix.html

for as long as you don't know any better, just use group-ID "all" (as
the documentation suggests as well).

axel.

3

The documentation you mentioned defined

group-ID = ID of the group of atoms to apply the fix to

I get an intuitive feel for the other fix commands, but for fix deposit are we applying it to the system as a whole or the atom/molecule we are inserting?

Thanks

4

From the fix deposit doc page:

All atoms in the inserted particle are assigned to two groups: the default group “all” and the group specified in the fix deposit command (which can also be “all”).

That’s all the group ID is used for in that fix.

Steve