Re: [gmx-users] re: g_rms v. g_rmsdist

Hi Gleb, Apparently I wasn't clear enough. g_rmsdist calculates the average distance for each pair of atoms over time and then calculates, for each frame, the deviations from the average distance for each pair of atoms. Per frame, these deviations are summed and the square root is taken. You're r

[gmx-users] re: g_rms v. g_rmsdist

Hi Tsjerk, Thanks very much for the response. Just to make sure I understand correctly, g_rmsdist calculates an average interatom distance value for the reference structure. At a time t, a similar average interatom distance is calculated and the observed deviation is the difference between this