Compute correct dV/dl when nstcalcenergy % nstdhdl != 0
[alexxy/gromacs.git] / src / programs / mdrun / tests / refdata / FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_simtemp_s.xml
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29 title "dH/d\xl\f{} and \xD\f{}H"
30 xaxis  label "Time (ps)"
31 yaxis  label "dH/d\xl\f{} and \xD\f{}H (kJ/mol [\xl\f{}]\S-1\N)"
32 TYPE xy
33 subtitle "\xl\f{} state 1:  = "
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35 s1 legend "Total Energy (kJ/mol)"
36 s2 legend "\xD\f{}H \xl\f{} to T = 300 (K)"
37 s3 legend "\xD\f{}H \xl\f{} to T = 311.787 (K)"
38 s4 legend "\xD\f{}H \xl\f{} to T = 324.037 (K)"
39 s5 legend "\xD\f{}H \xl\f{} to T = 336.768 (K)"
40 s6 legend "\xD\f{}H \xl\f{} to T = 350 (K)"
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