[gmx-users] trjconv for cutting the trajectory in small subtrajectories
m21.tang at qut.edu.au
Sat Apr 25 14:40:07 CEST 2015
Hi，-e is end frame， -b is the start one.
Sent from my Huawei Mobile
Mahboobeh Eslami <mahboobeh.eslami at yahoo.com> wrote:
hi GMx user I simulated protein-ligand comolex with gromacs. total simulation time is 20ns. when I use trjconv for cutting the trajectory in small subtrajectories from 10000ps to 17000ps by following command:
trjconv -f md.xtc -s md.tpr -n index.ndx -e 10000 -b 17000
I see following text in terminal window;
Reading frame 0 time 10000.000
Precision of md-nopbc.xtc is 0.001 (nm)
Using output precision of 0.001 (nm)
-> frame 3500 time 17000.000 -> frame 3000 time 16000.000
I think the generated trajectory is incomplete because saved frame is incomplete. please guide me.
Many thanks tobest
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