[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!
More information about the gromacs.org_gmx-users
mailing list