Input/Output files location

User discussions
1

GROMACS version: 2022.1
GROMACS modification: No
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I am trying to submit an mdrun job script on a cluster, but Gromacs keeps saying the files I refrenced in the command do not exist or are not accessible. I already uploaded the files to one of the directories using an FTP application and I can see them. Can anyone advise on the best way to point Gromacs to the location of my input/output files on the script?

Thanks in advance!

2

This may depend on the cluster queuing system (e.g. CONDOR, SLURM, etc.), I don’t think it is really GROMACS related. If you are using a cluster you should contact the people that maintain it and ask them/read in their documentation how to properly submit a GROMACS job and source everything you need!