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  • 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
TestGromacsTopFile.py 7.95 KB