-
Notifications
You must be signed in to change notification settings - Fork 42
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
default gfn?? #254
Comments
Yes, GFN2 is the default |
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Hi
in the documentation it is not reported what is the default method, I supposed gfn2 ???
I am saying this cause I wrongly assigned gnf2 instead of gfn2 in the command, and because I dont get a warning and that nothing is written in the output file anymore about the method..I was wondering what the program choses by default.
Maybe nice to add a warning??
` Command line input:
--gbsa ch2cl2 : implicit solvation
--T 28 (CPUs/Threads selected)
--chrg 0
-xnam :
xtb executable was set to: "/nfs/home/galanoj/xtb/6.4.1/bin/xtb"`
Thank you
The text was updated successfully, but these errors were encountered: