[gmx-users] g_rms

andrea carotti andcar at chimfarm.unipg.it
Wed Oct 3 08:42:17 CEST 2007


Hi and thanks for answering to my previous question.
Now I'm calculating the rmsd between two trajectories (-f2 option).
One is made by 2200 frames and the other has 33 frames..Now I've some
doubt about the output (rmsd.xvg), cause this file has only two columns
with 2200 rows ...i was imaging that it should have 2200 rows and 33
columns, am I wrong? 
The second question is something that is already been asked before..it
could be usefull to obtain the matrix 2200 x 33 in a human readable
file. Is it possible without hacking the code? Perhaps using external
scripts? 
Thanks a lot again
Andrea




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