[gmx-users] g_analylse and g_energy give different average value

[Li Jianguo]

Hi all,
 
When I'm calculating the free energy by TI method and getting the average value of dv/dlamda, the two commands of g_analylse and g_energy give different average values, -0.0033 from g_energy and -0.049 from g_analyse. Which one should I follow? Anyone encounter the same problem? 
Thanks very much!
 
best regards,
Jianguo


 


      
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