Thank you Geoff,
but the problem is still there.
provide copies of the commands, list of generated files, and an output
file below.
What I unfortunately see -- the output contains one molecule.
The connectivity is established as needed, but fragments are not
separated in different records.
I want
> But babel reports "1 molecule", see below
> Please advise,
This is more of a wording question. "1 molecule converted" really means "I read
in one molecular system 'record', where a record may contain more than one
fragment."
Obviously the latter is a little too long to print easily. :-)
Hope
Question to experts:
How to use key "--separate" for the xyz file.
The file evidently contains more than 5 fragments.
But babel reports "1 molecule", see below
Please advise,
Thank you,
Dmitri
babel --separate -ixyz movie_last.xyz -oxyz last.xyz
1 molecule converted
movie_last.xyz
Descrip
