979635d628ecafc81eac1e020f1d538ee0b532009a30efd51139eb944486cb2e  README.txt
a44024c7d90bf55ef0c6727083982ba4aec38f7ca6396b5aedb22229b7eec0c1  SHA256SUMS.txt
9b57866f169375c1299072889a8e545ec0dabafd0fc87e1475df57dbd9944809  inputs/181L_benzene_reference.pdb
06062c652a08b3448d217d6660f90a76b4b0e18eec7ae6806a6027ef33e461fa  inputs/181L_protein_only.pdb
7477655e2f9d97325561de2bc539818164a652ce50e38f266df438a3cbf2c51c  inputs/benzene_crystal.sdf
cea56dd4c770e753ebaa2b35488849496c0d539944c69a792a2fc11fdc3677ab  mdp/em.mdp
6831de59ac9e0da21adf179a37f4bd330f3cabbea0c3902448c0b0fc916cfd2f  mdp/md-validation.mdp
ba5aec43dcec72204e8c4d32055b4b16e37217521e3118dd91fd327c227847fe  mdp/npt.mdp
3ea270d218a670ea41d0e75c24f028171925cae26687b04a51f9474abe9ec573  mdp/nvt.mdp
