Re: [gmx-users] "Sign convention" g_energy total energies

On 8/14/13 6:42 PM, gg jj wrote: Hi everybody. I wonder how the "sign convention" of GROMACS (or better g_energy ) is: Is U(state_i):= _t correct or do i have to choose the other sign U(state_i)= -1.0* _t ? (<>_t denotes the time average) I need the correct sign for further calculations since

[gmx-users] "Sign convention" g_energy total energies

Hi everybody. I wonder how the "sign convention" of GROMACS (or better g_energy ) is: Is U(state_i):= _t correct or do i have to choose the other sign U(state_i)= -1.0* _t ?  (<>_t denotes the time average)   I need the correct sign for further calculations since i need to add something (-T\Delta