[gmx-users] trjcat options

bibhab majumdar bbmpresi at gmail.com
Tue Dec 5 16:29:45 CET 2017


Hi,

I am trying to concatenate two consecutive md trajectories. Each of them
were run for 100 ns. e.g. traj-1: 0-100 ns, traj-2: 0-100 ns (but started
from the final structure of traj-1). So, basically I want to prepare a
final trajectory of 0-200 ns. So , I am using the following command:

trjcat -f traj-1.trr traj-2.trr -o out.trr -settime

where I am setting the starting time of traj-1.trr as 0 ps and starting
time of traj-2.trr as 100000 ps. I am a little bit confused with the option
c and l while giving the settime option. I have not used any of c
(continue) or l (last) option. I just used -settime flag. Is this the
correct way of concatenating two consecutive md trajectories. Thanks in
advance for any help.

bibhab


More information about the gromacs.org_gmx-users mailing list