RSS Feed CHARMM Examples for Big Ben
This job does a short molecular dynamics simulation of a protein.
- Sample job script
- Input file pme_p21a.inp
- Input file mbco_au_q0.crd
- Input file mono_p21.xtl
- Input file par_all22_prot.inp
- Input file top_all22_prot.inp
- Output data file dyn.rst
- CHARMM log file pme_p21.16_xt3
- Job log file charmm.out