[gmx-users] how to read binary file rmsd.dat

arnab mukherjee arinipa at gmail.com
Mon Dec 6 06:45:52 CET 2004

Dear All,

I am a new user of Gromacs. I was interested in calculation of the
RMSD values along a trajectory --- for all structures with one
another. So for a list of N trajectory, I should get a N dimensional
matrix with N(N-1)/2 independent RMSD values.
g_rms does this with the option -bin. It generates a xpm impage also. 

 But I need the values of the matrix in normal ascii format. I tried
several ways --- includin C and Perl program. But I could not obtain
the values of  RMSD.

Can you please tell me how to get the RMSD matrix in nomal ascii
format or is there another way to get that?

 Awaiting eagerly for a reply,

Arnab Mukherjee

Arnab Mukherjee
Solid state and Structural Chemistry Unit
Indian Insitute of Science 
Bangalore - 560012

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