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.

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

Simulation failed with any negative ion valency other than -1 #118

Open
vijayakrishna23 opened this issue May 11, 2019 · 2 comments
Open

Comments

@vijayakrishna23
Copy link

Simulation fails when Negative ion valency (e) is set to -2 or -3. Simulation runs fine when the Negative ion valency is set to -1 but fails with other values (-2 and -3) even when other parameters are changed from the pre-set ones.

@nasimanousheh
Copy link
Contributor

What are the parameters (salt concentration, cation and anion diameter) you choose?
If you choose the cation diameter less than 0.4 nm and anion diameter less than 0.6 nm with concentration less than 1.0 M, it will work. You can go to nanoconfinement app in https://nanohub.org/ to see the optimal parameters to run the simulation.

@vijayakrishna23
Copy link
Author

I couldn't set the salt concentration to be 0.1. The minimum I can set is 0.3.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

2 participants