how ro run gmx_mmpbsa (can someone help)

[Justice Mallen]

I am trying to run gmx mmpbsa but i am getting an error . Below i have attached the log file. can someone please help to troubleshoot the problem

[Mario Sergio Valdes]

Please, use the -cp topol.top option in the command-line. Defining the topology, the -lm option is not required

[ABDELMOUJOUD FARIS]

pls why when i runing gmxmmpsa after 5sec ireceived : /cm/local/apps/slurm/var/spool/job176975/slurm_script: line 7: gmx_MMPBSA: command not found

[Mario Sergio Valdes]

Are you running gmx_MMPBSA in a local environment or with slurm?

[Justice Mallen]

you need to activate your environment

[Justice Mallen]

i did try that its working upto until a certain poiint just before the one i attached above. please find the attached document below for referral

[Mario Sergio Valdes]

Please, use the -cp topol.top option in the command-line.

[Justice Mallen]

i did try but its not completing the calculation, please refer to the latest log file i have attached

[Mario Sergio Valdes]

I reviewed all log files and I don't see in any of them the -cp topol.top option. Please, use the -cp topol.top option in the command-line.