Contact:
Lee-Ping Wang leeping@ucdavis.edu

Description:
Provide a text file containing a single SMILES string and three-letter residue name, as:
python create_mol2_pdb.py input.smi ETH
Receive ETH.pdb and ETH.mol2 files containing a single molecule with 1 conformation.
Receive ETH-box.pdb containing a box with specified number of molecules.

Dependencies:
OpenEye tools (for creating molecule from SMILES and conformer generation)
openmoltools (OpenEye conformer generation wrapper)
Gromacs 4.6.7 (for calling genbox to create solvent box)
ForceBalance 1.5.x (for putting information back that was thrown away by genbox)

## Contact:
Lee-Ping Wang leeping@ucdavis.edu

## Description:
Provide a text file containing a single SMILES string and three-letter residue name, as:
`python create_mol2_pdb.py input.smi ETH`
Receive `ETH.pdb` and `ETH.mol2` files containing a single molecule with 1 conformation.
Receive `ETH-box.pdb` containing a box with specified number of molecules.

## Dependencies:
- OpenEye tools (for creating molecule from SMILES and conformer generation)
- openmoltools (OpenEye conformer generation wrapper)
- Gromacs 4.6.7 (for calling genbox to create solvent box)
- ForceBalance 1.5.x (for putting information back that was thrown away by genbox)

Add some markdown format to the readme.md
Add some markdown format to the readme.md

Added some formatting to the markdown in the readme file.