[gmx-users] how to extract individual frames from trajectory

Justin Lemkul jalemkul at vt.edu
Sun Apr 14 05:12:34 CEST 2013

On 4/13/13 11:07 PM, aixintiankong wrote:
>   Dear,
>        I have made a 75ns 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 get many individual  pdb files.
>       colud anyone can tell me how to perform the command?

trjconv and some iteration or combination of -skip, -sep, and/or -dump will do 
the trick.



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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