# Free energy output

**URL:** <https://gromacs.bioexcel.eu/t/free-energy-output/8766>\
**Category:** User discussions\
**Created:** [April 2, 2024, 8:43am UTC](https://gromacs.bioexcel.eu/t/free-energy-output/8766 "2024-04-02T08:43:24Z")\
**Posts on this page:** 1\
**Page:** 1

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**Author:** ![mayank](https://avatars.discourse-cdn.com/v4/letter/m/bc8723/32.png) [@mayank](https://gromacs.bioexcel.eu/u/mayank)\
**Post date:** [April 2, 2024, 8:43am UTC](https://gromacs.bioexcel.eu/t/free-energy-output/8766/1 "2024-04-02T08:43:24Z")

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Hi,

I am running fep calculatons in gromacs but the dhdl.xvg is coming like this:  
@ s0 legend “Total Energy (kJ/mol)”  
@ s1 legend “dH/d\xl\f{} coul-lambda = 0.1000”  
@ s2 legend “dH/d\xl\f{} bonded-lambda = 1.0000”  
@ s3 legend “\xD\f{}H \xl\f{} to (0.0000, 1.0000)”  
@ s4 legend “\xD\f{}H \xl\f{} to (0.1000, 1.0000)”  
@ s5 legend “\xD\f{}H \xl\f{} to (0.2000, 1.0000)”  
@ s6 legend “\xD\f{}H \xl\f{} to (0.3000, 1.0000)”  
@ s7 legend “\xD\f{}H \xl\f{} to (0.4000, 1.0000)”  
@ s8 legend “\xD\f{}H \xl\f{} to (0.5000, 1.0000)”  
@ s9 legend “\xD\f{}H \xl\f{} to (0.6000, 1.0000)”  
@ s10 legend “\xD\f{}H \xl\f{} to (0.7000, 1.0000)”  
@ s11 legend “\xD\f{}H \xl\f{} to (0.8000, 1.0000)”  
@ s12 legend “\xD\f{}H \xl\f{} to (0.9000, 1.0000)”  
@ s13 legend “\xD\f{}H \xl\f{} to (1.0000, 1.0000)”  
@ s14 legend “pV (kJ/mol)”  
0.0000 -1155233.8 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 61.139687  
0.4000 -1155191.5 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 61.251175  
0.8000 -1155105.9 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 61.239468  
1.2000 -1155814.8 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 61.328480  
1.6000 -1156647.4 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 61.254784  
2.0000 -1157446.0 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 61.137573  
2.4000 -1157416.8 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 61.071644  
2.8000 -1157219.6 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 61.175213  
3.2000 -1156327.8 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 61.329620  
3.6000 -1155670.5 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 61.336185  
4.0000 -1155006.0 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 61.270138  
4.4000 -1154302.4 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 61.319775  
4.8000 -1154110.9 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 61.360397

any idea what I am doing wrong here?

Thank you