On 12/07/10, Hsin-Lin Chiang <jian...@phys.sinica.edu.tw> wrote: > Hi, > > My time unit is 1ps and today I have 300ns data generated by parallel > simulation. > I use trjconv -split 1000 on my trajectory but get the truncated end at t= > 5000.00000 > Theoretically it should stop at t= 1000.000 > I found that I don't have t= 1000.00000 frame but have t= 1000.00006, > 2000.00012, 3000.00024, and t= 4000.00024. > > I know I can add -timestep 1 to solve this problem and let file can be > truncated at t= 1000.00006. > > How does this kind of inaccurate time frames happen? > Is this trajectory a wrong result? > I just wrote a FAQ+wiki page for this, since it gets asked a bit. See http://www.gromacs.org/Documentation/Floating_Point_Arithmetic
trjconv -skip -sep is a more robust approach here Mark
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