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Update README.md
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removed a couple of outdated notes in the conda installation instructions
joshkamm authored Aug 5, 2024

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## Conda (alternative) installation

* Clone GitHub repository.
* Create a conda environment in which to install this library (links to more information on [anaconda installation](https://conda.io/projects/conda/en/latest/user-guide/install/index.html) and [anaconda environments](https://conda.io/projects/conda/en/latest/user-guide/tasks/manage-environments.html)). The following command creates a new conda environment with python and a couple dependencies that the author was unable to install automatically using pip (see below).
* Create a conda environment in which to install this library (links to more information on [anaconda installation](https://conda.io/projects/conda/en/latest/user-guide/install/index.html) and [anaconda environments](https://conda.io/projects/conda/en/latest/user-guide/tasks/manage-environments.html)). The following command creates a new conda environment with python.

```
conda create -c conda-forge --name conformational-sampling python=3.11
```

Note: in the author's environment, manually compiling a version of xTB was found to run a few times faster than the precompiled binary from conda used in these instructions.

* Activate the conda environment.

```

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