Hello All... I am trying to install Gromacs on windows using conda i have attempted to run "conda install -c bioconda gromacs_py" but it's not working. Any recommendations shall be highly appreciated.
The correct command appears to be:
conda install -c bioconda gromacs
(https://anaconda.org/bioconda/gromacs)
Ryan Gourlie Sir, I am working with Windows OS and the mentioned one is for Linux and mac. I have also tried this but it's not working. I am working in an environment in conda and I want to install it there. Is there any way I can import it from Cygwin to conda environment or from user apps to conda env?
I am sorry I am not familiar with either gromacs or Cygwin specifically so cannot speak to that. I am also not familiar with conda on Windows.
One option may be to use Windows Subsystem for Linux (https://learn.microsoft.com/en-us/windows/wsl/about) and install Ubuntu or another linux distro. There you would be able to use conda and other tools freely (including sudo).
A second option may be to alter your Windows PATH to include where gromacs is located. If you are unfamiliar, the PATH is where Windows searches for programs and exectuables, so if you place your desired program locations in PATH they should be able to run. This will not place gromacs into a conda environment but may allow you to use how you desire.
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