Arindam Ganguly wrote:
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
It's simply as it says: you're comparing apples and oranges, first
protein is four times as large. If you want to do sequence alignment
first, you'll have to use something else.
--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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