markovmodel / PyEMMA

🚂 Python API for Emma's Markov Model Algorithms 🚂
http://pyemma.org
GNU Lesser General Public License v3.0
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What is the difference between a working directory and a path? #1614

Open Wencesgiovanni opened 1 year ago

Wencesgiovanni commented 1 year ago

What is the difference between a working directory and a path? I am at a loss. I am trying to fetch the file pH10-amber-R1-dry.xtc via the command

files = fetch( 'pH10-amber-R1-dry.xtc', working_directory='C:/Users/giova/data/')

but I keep on obtaining the following error message: pH10-amber-R1-dry.xtc [no match in repository] I assure you that the file pH10-amber-R1-dry.xtc does belong to the directory /data. Why do I get the said message? Thank you very much for you attentive reply!

Mugu17777777 commented 1 year ago

hi, @Wencesgiovanni the command 'fetch' and 'mdshare.fetch' is trying to get files from the repository of PyEmma. Hence, instead of using that just use ( files = 'C:/Users/giova/data/pH10-amber-R1-dry.xtc ' ) . That should work, hope that helps.

Wencesgiovanni commented 12 months ago

thanks