Mercurial > repos > chemteam > mmpbsa_mmgbsa
directory / @ 5:2c62c4422f7a draft
name | size | permissions |
---|---|---|
test-data/ | drwxr-xr-x | |
macros.xml | 1326 | -rw-r--r-- |
mmpbsa_mmgbsa.xml | 18730 | -rw-r--r-- |
parmconv.py | 2519 | -rw-r--r-- |
template_mmpbsa_mmgbsa.j2 | 1350 | -rw-r--r-- |
template_parmconv.j2 | 296 | -rw-r--r-- |