[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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