Validate critical simulation file paths on remote machines via SSH before GROMACS/plumed job submission.
npx skills add https://github.com/BioKT/Skills-BIOKT --skill sim-paths
Please help me install this Agent Skill. Skill: sim-paths Source: https://github.com/BioKT/Skills-BIOKT/tree/main/sim-paths Command: npx skills add https://github.com/BioKT/Skills-BIOKT --skill sim-paths
Validate that simulation files exist on a target machine before launching jobs, catching missing paths early and avoiding failed submissions.
Spawn the general-purpose subagent on the target machine and supply the list of absolute file paths to verify.
High-intent search queries and answers about installing and using this skill.
Validate simulation file paths on a remote machine by spawning a context-free subagent that uses SSH to run a test -e check for each absolute path, returning a machine-specified report of missing files before launch.
Yes, you can check if GROMACS input files exist on machines like rubisco, villin, insulin, calmodulin, agamede, or hyperion by supplying a list of absolute file paths for remote existence verification prior to job submission.
The best way to preflight simulation files is to spawn an isolated subagent that performs an SSH remote existence check on essential inputs such as coordinates, topology, and mdp files, catching missing paths early to avoid failed submissions.
Run a remote existence check for simulation paths without affecting your token budget by spawning a context-free subagent that independently executes the SSH validation and returns the file path report.
Path validation works for plumed workflows across multiple machines by verifying that all critical simulation input files are present on the designated target machine via an SSH connection before you submit the job.
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jholhewresExecute shell commands and transfer files via SSH and SCP.
