Gromacs: .en extension not recognized
I'm new to Gromacs (and protein analysis coding in general, but have some experience with python based code). I'm trying to convert the .ene file I got from pyDock to a more readable format (it is currently being opened
When I try to use different commands the gromacs manual says accept .ene files ( gmx eneconv and gmx dump ) like
gmx eneconv -f project.ene -o converted.edr
and
gmx dump -e project.ene -om read.mdp
I am getting the error
File 'project.ene' cannot be used by GROMACS because it does not have a recognizable extension.
The following extensions are possible for this option:
.edr
I updated my OS and reinstalled gromacs. My setup works according to the Getting Started page.
I also open suggestions for other programs that open and read the .ene file type.
Thank!
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"en" is an abbreviation for "energy" and contains binary data about energy, temperature, volume, etc. and is only used in older versions of Gromacs. In the new version of Gromacs, this is replaced by the "edr" file, which contains portable binary data. See "gmx dump -h", you will find the following lines:
Options to specify output files:
-o [<.edr>] (fixed.edr)
Energy file
If you insist on using the en file, you should install an older version of Gromacs.
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