[gmx-users] g_clustsize problem

Wang Zhun wangzhun at pumc.edu.cn
Sun Mar 12 19:09:43 CET 2006


Hi,

I'm working on peptide folding with GMX3.2.1 now. When I carried out g_clustsize, it says:
Group     1 (     Protein) has   211 elements
Group     2 (   Protein-H) has   167 elements
Group     3 (     C-alpha) has    22 elements
Group     4 (    Backbone) has    66 elements
Group     5 (   MainChain) has    89 elements
Group     6 (MainChain+Cb) has   108 elements
Group     7 ( MainChain+H) has   112 elements
Group     8 (   SideChain) has    99 elements
Group     9 ( SideChain-H) has    78 elements
Group    10 ( Prot-Masses) has   211 elements
Group    11 ( Non-Protein) has 20439 elements
Group    12 (         SOL) has 20439 elements
Group    13 (       Other) has 20439 elements
Select a group: 1
Selected 1: 'Protein'
Last frame       4000 time 20000.000
cmid: 1, cmax: 1, max_size: 211
Fatal error: Lo: 0.000000, Mid: 1.000000, Hi: 1.000000
What's the meaning of the last two lines?
Thank you in advance!





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