[gmx-users] trjconv for cutting the trajectory in small subtrajectories
James Lord
jjamesgreen110 at gmail.com
Sat Apr 25 15:12:20 CEST 2015
Hi Mahboobeh,
I recommend checking the created trajectories with gmx check.
Cheers
James
On Sun, Apr 26, 2015 at 12:39 AM, Ming Tang <m21.tang at qut.edu.au> wrote:
> 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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