[gmx-users] Trouble getting gmx gyrate to work (Windows/Ubuntu)

Ben Drewry bendrewry26 at gmail.com
Mon Feb 4 22:30:49 CET 2019


I just downloaded gromacs to do radius of gyration calculations on a
theoretical molecule, and its not recognizing the file ive downloaded to
analyze.

I'm running the Microsoft Store app for Ubuntu on Windows, I've succesfully
installed gromacs for use with the app, and have the file as a .pdb
extension. When i try using "gmx gyrate -f [filename.pdb]" with the full
path for the file, gromacs returns the error for invalid command line
options, saying the file does not exist or is inaccessible. Even though it
has full read-write-execute permissions.

Does anyone have any insight on how to clear up these errors?

Thanks!

BD


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