Hi, I am trying to run orca on my 8 Core desktop computer. I ran it successfully with single core, then I installed openmpi (correct version) but can not run it with multicores. it says bash: "/home/prasanta/Work/Complex/orca: No such file or directory"
Do you know how to convert a pdb to orca format? do you know how to calculate the partial charges of a protein with metallic atoms using Orca?
open the pdb file in avogadro, then go to extension>orca
Hi, I am trying to run orca on my 8 Core desktop computer. I ran it successfully with single core, then I installed openmpi (correct version) but can not run it with multicores. it says bash: "/home/prasanta/Work/Complex/orca: No such file or directory"
could you suggest to me how to kill a running calculation in Linux??? thank you very much
How to connect Orca to Gabedit? In Linux