[gmx-users] fit

[Nguyen Hoang Phuong]

Dear All,

I used trjcov_d to fit the structures of the simulated trajectory to the
reference structure in the structure file. Then I use g_energy_d to
display the kinetic energy of both original trajectory and fitted one. It
is suprise because the results are difference. I thought that the fit
function only do fit for the coordinates, not for the velocity. Can anyone
give an explanation. Thanks in advance.

Phuong