[gmx-users] trjconv => not get the enough data ?
Mark.Abraham at anu.edu.au
Sun Sep 27 06:01:06 CEST 2009
Chih-Ying Lin wrote:
> in my .mdp file, i set up the total 4000 times saving the coordinates of
> each atom.
> then, I use the command
> trjconv -f xx.gro -s xx.tpr -o xx-traj.gro
> then, i checked the xx-traj.gro file and found there were less than 4000
> times of recording coordinates for each atom. say.... 3600 times of
> what is wrong ?
Don't know. Read the output of mdrun and trjconv and see what they say.
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