[gmx-users] NVT ensemble

Sukit Leekumjorn leekumjo at vt.edu
Wed Sep 28 21:16:33 CEST 2005


Dear gmx-users

I am trying to used the g_traj command to print out coordinate of 
certain atom. Basically, I do not want to print out the coordinate at 
every timestep. Can anyone explain how -dt works or is there a better 
way to skip timestep?  This is what I did:

 g_traj_d -f 4md11combine.trr -s 4md11.tpr -n 4PE.ndx -ox 4corrdPE.xvg 
-b 0 -e 500 -dt 10

The print out shows coordinates at time 0, 10, 20, 40, 70, 80, 130, 140, 
150, 160, 260, 270, 280, 290, 300, 310, 320. If I did not specify -dt, 
the print out shows coordinates at time from 0, 2, 4, 6, 8, 10,......500.

Any help would be greatly appreciated.
Sukit




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