What is the difference between -dt and -skip?
I use this command:
gmx trjconv -f .xtc -o.xtc -pbc nojump -dt 25
I have a trajectory of 600ns , is it necessary to increase the value of -dt?
Hi,
Assuming you have a trajectory of 1 ns and 200 frames
If you post-process using the option -skip 20, then you get a trajectory of 1 ns and 10 frames
If you post-process using the option -dt 20, then you get a trajectory of 1 ns and 50 frames
-skip {number} => write/save every {number} frames
-dt {number} => write/save every {number} ps
I hope it helps
Alessandra