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votca 2025.1-2
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid
  • size: 132,420 kB
  • sloc: xml: 345,964; cpp: 80,067; python: 15,957; sh: 4,580; perl: 2,169; javascript: 202; makefile: 34

Folder: atomistic

d .. (parent)
- l rwxrwxrwx 33 Extract_Energies.sh → ../../scripts/Extract_Energies.sh
- - rw-r--r-- 270,046 conf.gro
- - rw-r--r-- 7,006 grompp.mdp
- - rw-r--r-- 423 methanol.xml
- - rw-r--r-- 1,352 methanol_opls.itp
- - rwxr-xr-x 798 run.sh
- - rw-r--r-- 370 settings.xml
- - rw-r--r-- 116 topol.top