GROMACS development

05/19/2009

11:45 AM GROMACS Bug #316: g_msd returns incorect value of self-diffusion coefficient for ngroup > 1

Created an attachment (id=372)
Input files necessary to reproduce the bug
Commands to reproduce the bug:
g_msd -s c...

04/22/2009

11:53 AM GROMACS Bug #316: g_msd returns incorect value of self-diffusion coefficient for ngroup > 1

Created an attachment (id=363)
Correct (top) and incorrect (bottom) MSD function of CL-
This is an update to the fir...

11:50 AM GROMACS Bug #316 (Closed): g_msd returns incorect value of self-diffusion coefficient for ngroup > 1

Created an attachment (id=362)
Correct (top) and incorrect (bottom) MSD function of CL-
The bug appeared in calculat...