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