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insilichem / gaudi

GaudiMM: A modular optimization platform for molecular design
http://gaudi.readthedocs.io
GNU Lesser General Public License v3.0
32 stars 14 forks source link

add: only_probes parameter #29

Closed josan82 closed 4 years ago

josan82 commented 4 years ago

Allow the user to consider Hbonds between the probe molecules only