[gmx-users] g_analylse and g_energy give different average value
ljgsq at yahoo.com
Wed Mar 11 05:49:35 CET 2009
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!
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