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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