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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