Molecular Dynamics, Cheminformatics, Charmm, Amber, Computational Chemistry.
write coor pdb unit 10 close unit 10 open unit 10 write card name @{out}.psf write psf card unit 10 close unit 10 open unit 10 write card name @{out}.crd write coor card unit 10 close unit 10 stop In the end our PDB file looks like this: In the next step, we will combine the two PDFs together to