Skip to content

GitLab

Switch branch/tag
Find file BlameHistoryPermalink
  • feiglab's avatar
    Fix reading of Gromacs topologies created from CHARMM force field (#5026) · 0a4edb84
    feiglab authored 
    * fix to correctly read Gromacs topology files for CHARMM force field

* updated fix to correctly read topology files with NBFIX and different combination rules

* fixes to read topology files with NBFIX and different combination rules

* changed default for useDispersionCorrection to True

* changed docstring default for useDispersionCorrection to 'True'
    0a4edb84
TestGromacsTopFile.py 12.9 KB