Respected Sir,
Today i installed GROMACS and gmx_MMPBSA in new pc. Unfortunately when i run the PBSA binding energy calculations. It's throwing me an error regarding the "mpirun was unable to find the specified executable file" . I am attaching screenshots of bshrc for gmx installation path, gmx executabole path and error image.
I request you to please look into this error and guide me to solve it. Thank you in advance.
Sincerely,