GunnerLab / Stable-MCCE

Stable version of MCCE.
MIT License
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pdbio.py library loading run.prm prematurely #241

Closed newbooks closed 1 year ago

newbooks commented 1 year ago

Due to the loading of run.prm in this module, any programs that import this module will check run.prm and report error it run.prm doesn't exist. This shouldn't be the expected behavior, for example, when a user run -h to see the command help, or run step 3 at which time run.prm was not created. So the run.prm loading should be at a place only when needed.

vdw_pw.py, vdw_conf2conf.py, vdw_bk.py and step3.py are dependent on this library.

newbooks commented 1 year ago

Fixed