[gmx-users] how to use the trjconv -sep and -skip to get the individual file
aixintiankong at 126.com
Fri Apr 19 14:16:38 CEST 2013
I have made a 10ns prodution MD, The set dt=0.002，nstxtcout = 500 in mdp file. I have made 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 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 and tell me what the skip mean
thank you !
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