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

[leafyoung81-group at yahoo.com]

Use trjconv -b W -e X -sep -f Y.xtc -o Z.gro 

Yang Ye

--- Rahul Karyappa <r.karyappa at ncl.res.in> 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?
> Waiting for your kind reply.
> Thanking you in advance.
> Rahul Karyappa
> NCL, Pune.
> 
>
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