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synthetic-motors
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Torsion scan
#2
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slochower
opened
6 years ago
slochower
commented
6 years ago
Check in-place optimization on
kirkwood
Check torsion scan on
kirkwood
Try
g09
with PM6 or other semi-empirical method
Try MM energy scan
kirkwood
kirkwood
g09
with PM6 or other semi-empirical method