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Name Date Size #Lines LOC

..03-May-2022-

freeenergy/H03-May-2022-5,3734,992

1quantum.ndxH A D05-Nov-2021236 98

2quantum.ndxH A D05-Nov-2021251 98

4water.groH A D05-Nov-2021601 1615

4water.topH A D05-Nov-20211.4 KiB4939

OctaneSandwich.groH A D05-Nov-2021931.4 KiB13,82513,824

OctaneSandwich.ndxH A D05-Nov-2021136.1 KiB1,7451,744

OctaneSandwich.topH A D05-Nov-202116.5 KiB573558

ala.groH A D05-Nov-20211.6 KiB2726

ala.ndxH A D05-Nov-2021756 2524

ala.topH A D05-Nov-20217.5 KiB257242

alanine_vsite.itpH A D05-Nov-20218 KiB259246

alanine_vsite_solvated.groH A D05-Nov-202162.3 KiB927926

alanine_vsite_solvated.ndxH A D05-Nov-20214.6 KiB6463

alanine_vsite_solvated.topH A D05-Nov-2021592 2921

alanine_vsite_vacuo.groH A D05-Nov-20212.1 KiB3332

alanine_vsite_vacuo.ndxH A D05-Nov-2021157 43

alanine_vsite_vacuo.topH A D05-Nov-2021265 1510

allquantum.ndxH A D05-Nov-2021281 98

angles1.groH A D05-Nov-2021343 87

angles1.ndxH A D05-Nov-202131 32

angles1.topH A D05-Nov-20211.9 KiB7363

argon12.groH A D05-Nov-2021893 1615

argon12.ndxH A D05-Nov-2021109 54

argon12.topH A D05-Nov-2021710 3224

argon5832.groH A D05-Nov-2021393 KiB5,8365,835

argon5832.ndxH A D05-Nov-202186.6 KiB1,1711,170

argon5832.topH A D05-Nov-2021708 3224

butane1.groH A D05-Nov-2021231 87

butane1.ndxH A D05-Nov-202131 32

butane_a0.xvgH A D05-Nov-202111.3 KiB187186

butane_b0.xvgH A D05-Nov-202118.7 KiB307306

butane_d0.xvgH A D05-Nov-202122.6 KiB367366

dipoles.groH A D05-Nov-2021329 87

dipoles.ndxH A D05-Nov-202131 32

dipoles.topH A D05-Nov-2021514 2921

glycine_no_constraints_vacuo.groH A D05-Nov-2021495 1413

glycine_no_constraints_vacuo.ndxH A D05-Nov-202161 32

glycine_no_constraints_vacuo.topH A D05-Nov-2021186 139

glycine_vacuo.groH A D05-Nov-2021495 1413

glycine_vacuo.itpH A D05-Nov-20212.7 KiB8881

glycine_vacuo.ndxH A D05-Nov-2021102 54

glycine_vacuo.topH A D05-Nov-2021186 139

lysozyme.pdbH A D05-Nov-202112.2 KiB

lysozyme.topH A D05-Nov-202143.4 KiB1,4661,456

mindist.ndxH A D05-Nov-202187 1312

mindist_coords.groH A D05-Nov-2021185 66

nonanol_vacuo.groH A D05-Nov-20212.6 KiB4039

nonanol_vacuo.ndxH A D05-Nov-2021194 64

nonanol_vacuo.topH A D05-Nov-202115.2 KiB310297

one-tip5p.g96H A D05-Nov-2021435 1413

one-tip5p.ndxH A D05-Nov-202136 32

one-tip5p.topH A D05-Nov-20211.9 KiB5746

orires_1lvz.groH A D05-Nov-202114.8 KiB219218

orires_1lvz.ndxH A D05-Nov-20211.4 KiB2423

orires_1lvz.topH A D05-Nov-202155.2 KiB1,8211,805

scaled-water.g96H A D05-Nov-2021513 1514

scaled-water.ndxH A D05-Nov-2021119 76

scaled-water.topH A D05-Nov-20211 KiB3527

spc-and-methanol.groH A D05-Nov-2021489 109

spc-and-methanol.ndxH A D05-Nov-202191 76

spc-and-methanol.topH A D05-Nov-20211.8 KiB6851

spc-dimer.g96H A D05-Nov-2021512 1514

spc-dimer.ndxH A D05-Nov-202141 32

spc-dimer.topH A D05-Nov-2021160 1410

spc2-traj.g96H A D05-Nov-20211.4 KiB4847

spc2-traj.groH A D05-Nov-2021941 1917

spc2-traj.pdbH A D05-Nov-20211.3 KiB

spc2.groH A D05-Nov-2021449 108

spc2.ndxH A D05-Nov-2021117 76

spc2.topH A D05-Nov-2021782 3124

spc216.groH A D05-Nov-202143.7 KiB652651

spc216.ndxH A D05-Nov-20213.2 KiB4645

spc216.topH A D05-Nov-2021177 139

spc216_with_methane.groH A D05-Nov-202144.1 KiB657656

spc216_with_methane.topH A D05-Nov-2021933 3426

spc2_and_vacuum.groH A D05-Nov-2021355 109

spc5.ndxH A D05-Nov-202147 42

spc5.pdbH A D05-Nov-202135.2 KiB

spc5.topH A D05-Nov-2021105 106

spc5_3.ndxH A D05-Nov-202130 42

spc_and_methane.groH A D05-Nov-2021604 1111

spc_and_methane.ndxH A D05-Nov-2021107 76

spc_and_methane.topH A D05-Nov-2021933 3426

sw-dimer.g96H A D05-Nov-2021786 1918

sw-dimer.ndxH A D05-Nov-202161 32

sw-dimer.topH A D05-Nov-20213.8 KiB157138

tip3p5.groH A D05-Nov-20211.1 KiB1918

tip3p5.ndxH A D05-Nov-202187 32

tip3p5.topH A D05-Nov-2021174 129

villin.g96H A D05-Nov-202117.6 KiB265264

villin.ndxH A D05-Nov-20211.3 KiB2019

villin.topH A D05-Nov-202173.5 KiB2,4532,437