[gmx-users] g_confrms_d options

Arindam Ganguly arindamganguly at gmail.com
Thu Oct 5 09:20:44 CEST 2006


Hi Gmx-users,
i am facing this problem i really don;t get it. i am trying to  compare the
rmsd  of  two strucures  and when i  use  g_confrms_ d i  the following
options for the two structures

Group     0 (      System) has  4276 elements
Group     1 (     Protein) has  4276 elements
Group     2 (   Protein-H) has  3260 elements
Group     3 (     C-alpha) has   388 elements
Group     4 (    Backbone) has  1164 elements
Group     5 (   MainChain) has  1556 elements
Group     6 (MainChain+Cb) has  1932 elements
Group     7 ( MainChain+H) has  1932 elements
Group     8 (   SideChain) has  2344 elements
Group     9 ( SideChain-H) has  1704 elements
Group    10 (     Protein) has  4276 elements

Group     0 (      System) has  1198 elements
Group     1 (     Protein) has  1053 elements
Group     2 (   Protein-H) has   802 elements
Group     3 (     C-alpha) has    96 elements
Group     4 (    Backbone) has   288 elements
Group     5 (   MainChain) has   385 elements
Group     6 (MainChain+Cb) has   478 elements
Group     7 ( MainChain+H) has   478 elements
Group     8 (   SideChain) has   575 elements
Group     9 ( SideChain-H) has   417 elements
Group    10 ( Prot-Masses) has  1053 elements
Group    11 ( Non-Protein) has   145 elements
Group    12 (          NA) has     1 elements
Group    13 (         HOH) has   144 elements
Group    14 (       Other) has   145 elements
Group    15 (     Protein) has  1053 elements

i am able to calculate all options however for the "C-alpha" it keeps on
giving me an error and the error is  "You selected groups with different
number of atoms."
if you look at all other options also have different number of atoms, so
howcome i don;t get this error message in other options. is there really
problem here or i am missing something. pzl help thanks.

Arindam Ganguly
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