[gmx-users] getting structure file from a trajectory (at a particular timestep)

Mark Abraham Mark.Abraham at anu.edu.au
Mon Sep 19 16:01:26 CEST 2005

Rahul Karyappa wrote:
> Dear all,
>      For my next MD simulation I want to use a structure from a 
> trajectory which is generated from the previous mdrun simulation. My 
> previous simulation is of 1ns and I want to get the structure for the 
> timestep 250ps. How can I get the structure file at a particular 
> timestep? Which command I should use and how?

The many-hundred page manual includes a section with an overview of what 
each component program does, and a detailed description of all of them. 
I suggest you look there first for this and similar questions. :-)


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