"platforms/cuda/vscode:/vscode.git/clone" did not exist on "7df74a1c093d09e9b609d8ea684e1d83d08e9667"
  • Sunhwan Jo's avatar
    add comment/modify test · 0db10f6c
    Sunhwan Jo authored
    - Test system is translated to the origin
    - Energy is computed again after updating Gromacs input to reflect no-cutoff option (rcoulomb = rlist = rvdw = 0.0)
    0db10f6c
gromacstopfile.py 55.8 KB