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tsoc
openmm
Commits
0a0e3ba3
"vscode:/vscode.git/clone" did not exist on "f9106ddb6a0d72c960c73b23ed0e07cd7190a80f"
Commit
0a0e3ba3
authored
Mar 05, 2015
by
Jason Swails
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Add a %COMMENT to this prmtop file to test that it's parsed correctly.
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wrappers/python/tests/systems/Mg_water.prmtop
wrappers/python/tests/systems/Mg_water.prmtop
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wrappers/python/tests/systems/Mg_water.prmtop
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0a0e3ba3
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@@ -1802,6 +1802,7 @@ WAT WAT
2.54487941E+01 1.27063907E+02 5.94825035E+02 0.00000000E+00 0.00000000E+00
0.00000000E+00
%FLAG LENNARD_JONES_CCOEF
%COMMENT This is the r^-4 term in the 12-6-4 LJ potential
%FORMAT(5E16.8)
0.00000000E+00 1.32908847E+02 0000000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00
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