[gmx-users] trjconv for cutting the trajectory in small subtrajectories

Ming Tang 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
--
Gromacs Users mailing list

* Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!

* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

* For (un)subscribe requests visit
https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.


More information about the gromacs.org_gmx-users mailing list