<html><head></head><body><div style="font-family: Verdana;font-size: 12.0px;"><div>Hi everybody.
<div>I wonder how the "sign convention" of GROMACS (or better g_energy ) is: Is U(state_i):= <E_tot (state_i)>_t correct or do i have to choose the other sign U(state_i)= -1.0* <E_tot (state_i)>_t ? (<>_t denotes the time average)</div>
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<div>I need the correct sign for further calculations since i need to add something (-T\Delta S) to the difference of the inner energy of two states: \Delta F=\Delta U -T\Delta S (for T=const)</div>
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<div>Thank you for your reply</div>
<div> John</div>
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