Hi,
I have a CML file that I'm trying to convert to a LMPDAT format. The
conversion appears to work, but not particularly well. Some bonds appear to
be incorrect, and the atom coordinates are definitely not correct. The
command I'm using is:
babel -icml file.cml -olmpdat file.lmpdat
And everything seems to work fine. I'm using Babel 2.3.1. I've included the
.lmpdat files and .cml files.
Thanks,
Nick
file.cml <http://forums.openbabel.org/file/t375732/file.cml>
file.lmpdat <http://forums.openbabel.org/file/t375732/file.lmpdat>
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