Avogadro 2 keep fixed selected atoms option doesn't work

[martino2650]

Avogadro version: (please complete the following information from the About box):

• Avogadrolibs: (e.g. 1.90.0-316-g6d14770)
• Qt: (e.g., 5.9.5)

Desktop version: (please complete the following information):

• OS: [e.g. MacOS]
• Version [e.g. 10.12.4]
• Compiler (if you built from source)

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[welcome]

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[ghutchis]

You haven't given much information on what you mean. What version are you using? What OS? What particular commands are you using that "don't work?"

[martino2650]

You're right. I'am using Avogadro 2 (version 1.99.0) on Windows 10. I draw the structure of interest; then I select with the selection tool the atoms that I want to keep fixed; I click on Extensions -> Fix selected Atoms; I run the optimization. This procedure works on Avogadro 1 (version 1.20n). Il mer 3 lug 2024, 17:19 Geoff Hutchison ***@***.***> ha scritto:

…

You haven't given much information on what you mean. What version are you using? What OS? What particular commands are you using that "don't work?" — Reply to this email directly, view it on GitHub <#1684 (comment)>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/BJUEJUCT736ID77JBCBCDD3ZKQJBNAVCNFSM6AAAAABKJJD7JGVHI2DSMVQWIX3LMV43OSLTON2WKQ3PNVWWK3TUHMZDEMBWGUYTQNJVGY> . You are receiving this because you authored the thread.Message ID: ***@***.***>

[ghutchis]

Just to be clear, you're using the "Optimize Geometry" and not Open Babel, right? Do you know what force field is selected?

Thanks.

[martino2650]

Yes, I'm using "Optimize Geometry", not Open Babel. I don't know which Force Field I'm using because the program doesn't let me to choose. Il gio 4 lug 2024, 17:39 Geoff Hutchison ***@***.***> ha scritto:

…

Just to be clear, you're using the "Optimize Geometry" and not Open Babel, right? Do you know what force field is selected? Thanks. — Reply to this email directly, view it on GitHub <#1684 (comment)>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/BJUEJUGI6WMEWU6QZKEMSVLZKVUC3AVCNFSM6AAAAABKJJD7JGVHI2DSMVQWIX3LMV43OSLTON2WKQ3PNVWWK3TUHMZDEMBZGI2TEMJUGQ> . You are receiving this because you authored the thread.Message ID: ***@***.***>