[phenixbb] treating the water molecules in the model

Dmitry Semchonok semchonok at gmail.com
Fri Jan 19 03:33:12 PST 2024


Dear colleagues,



Please share your experience with how you handle the water molecules.



So, we have a refined model and added the water molecules using the Douse protocol.  So, should we refine the model again afterwards? Or is the model considered ready?



We tried to refine our model with water, but then the water molecules flew away from the places.



Please let me know what is the correct way to proceed.



Many thanks for considering my request.



Sincerely,

Dmitry
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