Re: [gmx-users] Calculation of the components of (ionic) current using g_current

Hi, it is the ionic current, given by a sum over the center of mass velocities of each molecule by their net-charge. /Flo On Mon, 2012-05-07 at 13:00 -0400, Andrew DeYoung wrote: > Hi, > > g_current calculates the (ionic) current in the output file specified by the > -o switch (by default, "c

[gmx-users] Calculation of the components of (ionic) current using g_current

Hi, g_current calculates the (ionic) current in the output file specified by the -o switch (by default, "current.xvg"). Specifically, each component (x, y, and z) of the current is computed and printed. My question is, is the current that is computed the current of atoms (which each have partial