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m3g / packmol

Packmol - Initial configurations for molecular dynamics simulations
http://m3g.github.io/packmol
MIT License
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Errors with long filename/path #29

Closed taidbui closed 2 years ago

taidbui commented 2 years ago

I have encountered an errors when I use quite a long path to my pdb files to build the system with packmol. Please find below the error: At line 407 of file output.f90 (unit = 15) Fortran runtime error: Cannot open file '/Users/tb/Library/CloudStorage/OneDrive-tb/MD/models/oplsaa/C26H32O_GROMOS_ATB_B': No such file or directory

As you can see, the filename is not complete because it is longer than the one shown in the error above. When I shortened my file name, it worked just fine. I wonder if it is possible to increase the character limit for the input path.

Thank you!

lmiq commented 2 years ago

Which version are you using? That should be solved in the latest versions.

taidbui commented 2 years ago

I see. Thank you very much. I installed via conda, and the latest version is 20.01.

lmiq commented 2 years ago

That was fixed on version 20.2.3.