Where can I download the old version?
Thanks
________________________________
Da: Mark Abraham <mark.abra...@anu.edu.au>
A: Discussion list for GROMACS users <gmx-users@gromacs.org>
Inviato: Martedì 22 Novembre 2011 9:32
Oggetto: Re: [gmx-users] Trajectory to matrix
On 22/11/2011 7:27 PM, Alex Jemulin wrote:
Dear all
>I need to export all MD trajectory's data to a matrix.
>As column header I'd like to put each atom indentified by residue name and
>progressive number
>e.g. LYS-N1
That will be your job to parse the .gro file suitably and write a header.
In the rows I'd like to put z coordinate changing in time.
g_traj -xvg none is the place to start.
Mark
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