To build a CHARMM psf, crd and pdb file for a given residue name.
Both c36 and drude residues can be built.
- CHARMM (https://academiccharmm.org/)
./run <drude/c36> <resid>
e.g.
./run c36 benz
To build a CHARMM psf, crd and pdb file for a given residue name.
Both c36 and drude residues can be built.
./run <drude/c36> <resid>
e.g.
./run c36 benz