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TinkerTools / poltype2

Poltype 2: Automated Parameterization and Free Energy Prediction for AMOEBA
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Can We also use it to prepare the parameters for monovalent and divalent ions #55

Open heman3333 opened 1 week ago

heman3333 commented 1 week ago

I am trying to parameterize the monovalent cations but not able to do so. Is it possible ?

pren commented 1 week ago

No it is not meant for ions

From: heman3333 @.> Date: Thursday, September 12, 2024 at 1:27 AM To: TinkerTools/poltype2 @.> Cc: Subscribed @.***> Subject: [TinkerTools/poltype2] Can We also use it to prepare the parameters for monovalent and divalent ions (Issue #55)

I am trying to parameterize the monovalent cations but not able to do so. Is it possible ?

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