[gmx-users] how to extract individual frames from trajectory
aixintiankong at 126.com
Fri Apr 19 14:03:05 CEST 2013
At 2013-04-14 11:07:39,aixintiankong <aixintiankong at 126.com> wrote:
I have made a 10ns prodution MD, I want to extract frames from the molecular dynamics simulations at regular intervals of 10ps and keep the file as individual pdb file. The dt=0.002，nstxtcout = 500，i want to use the follow command ,
trjconv -s topol.tpr -f traj.xtc -skip (number) -o conf.pdb -sep
but i don't now how to set the number of skip,please help me.
thank you !
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