Hi, Everyone,<br> The force given by .trr file is the total force acted on each atom. Now I would like to modify codes to calculate individaul force between each atom pair. Is it possible in gromacs? (Because I remember some part of gromacs is writen in Fortran and already compiled).
<br> Thanks in advance.<br> Yours Sincerely,<br> WU Yanbin<br>