[gmx-users] About Index Files

[Justin Lemkul]

On 2/9/13 3:07 AM, vidhya sankar wrote:
> 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?

There's no real problem.  Group duplication has been noted before, and it's a 
bit annoying, but totally harmless.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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