[gmx-users] About Index Files
vidhya sankar
scvsankar_agr at yahoo.com
Sat Feb 9 09:07:43 CET 2013
Dear Justin Thanks you for your Previous reply
I am Following your Lipid Protein Tutorial
When I try to create index File from .gro file obtained After genion & EM (grompp) pro gramme Then I have got Repetition of Groups (from 1 to 11 & 11 to 21)
in Command prompt
0 System : 15392 atoms
1 Protein : 714 atoms
2 Protein-H : 462 atoms
3 C-alpha : 42 atoms
4 Backbone : 126 atoms
5 MainChain : 168 atoms
6 MainChain+Cb : 210 atoms
7 MainChain+H : 210 atoms
8 SideChain : 504 atoms
9 SideChain-H : 294 atoms
10 Prot-Masses : 714 atoms
11 non-Protein : 14678 atoms
12 Protein : 714 atoms
13 Protein-H : 462 atoms
14 C-alpha : 42 atoms
15 Backbone : 126 atoms
16 MainChain : 168 atoms
17 MainChain+Cb : 210 atoms
18 MainChain+H : 210 atoms
19 SideChain : 504 atoms
20 SideChain-H : 294 atoms
21 Prot-Masses : 714 atoms
22 non-Protein : 14678 atoms
23 Other : 6250 atoms
24 DPPC : 6250 atoms
25 NA : 1 atoms
26 Water : 8427 atoms
27 SOL : 8427 atoms
28 non-Water : 6965 atoms
29 Ion : 1 atoms
30 DPPC : 6250 atoms
31 NA : 1 atoms
32 Water_and_ions : 8428 atoms
I do not Know Why This Happens?
Could You Please Suggest Any Solution?
Thanks In Advance
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