[gmx-users] fit

Nguyen Hoang Phuong phuong at theochem.uni-frankfurt.de
Wed Feb 19 09:53:42 CET 2003

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.


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