You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
In the example folders, I tried to running lattice minimization
I followed README to run this run_xtal_md xml -i build_system/oxamide/1473522_gaff1.xml -p xtal_min/oxamide_gaff1/1473522_gaff1_min.pdb --temperature=298.15 --nanoseconds 2 --prefix xtal_md/oxamide_gaff1 but got FileNotFoundError.
I run this run_xtal_md xml -i build_system/oxamide/1473522_gaff1.xml -p xtal_min/oxamide_gaff1_min.pdb --temperature=298.15 --nanoseconds 2 --prefix xtal_md/oxamide_gaff1 instead, in order to link the correct input (I think) .
Still got an FileNotFoundError but a different FileNotFoundError. FileNotFoundError: [Errno 2] No such file or directory: './/run_0/xtal_md/oxamide_gaff1_thermalization.xml' Not sure what is run_0 or oxamide_gaff1_thermalization.xml, but I did not see any files in my run_0 folder.
The text was updated successfully, but these errors were encountered:
In the example folders, I tried to running lattice minimization
run_xtal_md xml -i build_system/oxamide/1473522_gaff1.xml -p xtal_min/oxamide_gaff1/1473522_gaff1_min.pdb --temperature=298.15 --nanoseconds 2 --prefix xtal_md/oxamide_gaff1
but got FileNotFoundError.run_xtal_md xml -i build_system/oxamide/1473522_gaff1.xml -p xtal_min/oxamide_gaff1_min.pdb --temperature=298.15 --nanoseconds 2 --prefix xtal_md/oxamide_gaff1
instead, in order to link the correct input (I think) .FileNotFoundError: [Errno 2] No such file or directory: './/run_0/xtal_md/oxamide_gaff1_thermalization.xml' Not sure what is run_0 or oxamide_gaff1_thermalization.xml
, but I did not see any files in my run_0 folder.The text was updated successfully, but these errors were encountered: