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insilichem
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garleek
:arrow_right_hook: QM/MM interfacing in Python :leftwards_arrow_with_hook:
https://garleek.readthedocs.io
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A doubt of QM/MM interface
#5
taipinghu
opened
5 years ago
1
Fix issue 3 (fixed width parsing for tinker outputs)
#4
jaimergp
closed
5 years ago
0
Tinker outputs have fixed width format, which can result in error for large quantities
#3
jaimergp
closed
5 years ago
1
Electronic embedding
#2
jaimergp
closed
5 years ago
1
More MM engines
#1
jaimergp
opened
6 years ago
0