Li Qiang wrote:
Dear all users,
I want to plot the velocities of center of mass for my peptide. Reading
from 3.3 manual, there seems to be two ways--g_com and g_traj.
However,
1, g_com can not be found in /usr/local/gromacs/bin. Is there anything
missed for my installation?
2, $> g_traj -f md.trr -s md.tpr -ov veloc.xvg -com
but there is only one line in the output file, i.e. the last frame of my
trajectory. The same thing happens for "-of force.xvg". but for "-ox
-coord.xvg" all the times are written out!
Is there any physical meaning for this? or something is wrong?
GROMACS 3.3.1 is used.
the velocities have not been saved. please check mdp file options.
thank you
Qiang
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