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28 lines
856 B
28 lines
856 B
# Computational Molecular and Material Design Environment (CMMDE) |
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## Introduction |
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This software is developed for decreasing the barrier in using popular open-source computational chemistry software. Currently, CMMDE can use the following software: |
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1. [Orca](https://orcaforum.kofo.mpg.de/app.php/portal) |
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2. [DFTB+](https://dftbplus.org/) |
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3. [GROMACS](https://manual.gromacs.org/current/download.html) |
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4. [DOCK6](https://dock.compbio.ucsf.edu/DOCK_6/index.htm) |
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5. [DCDFTBMD](http://www.chem.waseda.ac.jp/dcdftbmd/?lang=en) |
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6. [Quantum Espresso](https://www.quantum-espresso.org/) |
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7. [xTB via Orca](https://github.com/grimme-lab/xtb) |
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## Installation |
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1. Cloning the repository: |
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```bash |
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git clone https://github.com/aditchemist/CMMDE |
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``` |
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2. Change directory to CMMDE: |
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```bash |
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cd CMMDE |
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``` |
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3. Install the code: |
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```bash |
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chmod +x install.sh |
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./install.sh |
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```
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