Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

unable to display MEP of water molecule #48

Open
pi3141 opened this issue Mar 1, 2025 · 4 comments
Open

unable to display MEP of water molecule #48

pi3141 opened this issue Mar 1, 2025 · 4 comments

Comments

@pi3141
Copy link

pi3141 commented Mar 1, 2025

Hi,

When I draw a water molecule, then click on "calculate properties". On the tab "Polarity and solvatation" the MEP does not appear even polarity is calculated (the tooltip display partial charge on atom).
@charnley
Copy link
Member

charnley commented Mar 1, 2025

https://molcalc.org/calculations/965e55d4705afb7e081029791d8fed3b#/solvation

Image

seems to work fine

@pi3141
Copy link
Author

pi3141 commented Mar 2, 2025

It works for me now too…

@pi3141 pi3141 closed this as completed Mar 2, 2025
@pi3141
Copy link
Author

pi3141 commented Mar 4, 2025

When I build H₂O from scratch, It gaves me this URL : https://molcalc.org/calculations/a74017f03182fbc4d788684d70c53e16#/solvation

Which does not display MEP. What am I doing wrong ?

@charnley
Copy link
Member

charnley commented Mar 5, 2025

I see. I am unable to reproduce your workflow. Can you give me a step-by-step explanation of how you get to the water in the URL?

@charnley charnley reopened this Mar 5, 2025
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees
No one assigned
Labels
None yet
Projects
None yet
Milestone
No milestone
Development

No branches or pull requests
2 participants
@charnley @pi3141