[gmx-users] About g_mdmat function

Keunwan Park keunwan at gmail.com
Thu Aug 16 09:07:32 CEST 2007


Dear all

I use index file to make residue group and run g_mdmat function with the
ndx file.

For example, the residue groups are composed of 8 residues and the
program said ...
--------------------------------------------------------------------------
Selected 10: 'r_81_r_82_r_83_r_102_r_111_r_149_r_178_r_182'
There are 182 residues with 100 atoms
--------------------------------------------------------------------------

Why the program recognize 182 as a total residue number instead of 8 ?
PixMap matrix file also show 182 residues.

How do I draw the matrix file with 8 residues ?

Thank you very much for any info!!

Keunwan Park






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