[gmx-users] Trajectory to matrix

Alex Jemulin alexbioinfo at yahoo.com
Tue Nov 22 09:27:32 CET 2011


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
In the rows I'd like to put z coordinate changing in time.
 
Any  suggestion?
 
Thanks
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