yank icon indicating copy to clipboard operation
yank copied to clipboard

problem during absolute binding energy calculation

Open mayank-kohli opened this issue 1 year ago • 3 comments

Hi, When I run the absolute calculation protocol, I got the error below

subprocess.CalledProcessError: Command '['tleap', '-f', 'leap.in']' returned non-zero exit status 31.

I think that the subprocess error related to the tleap might be from the amber tleap. Could you tell me what I am missing...

Thank you

mayank-kohli avatar Apr 14 '23 04:04 mayank-kohli