[gmx-users] problem with trjconv

nitu sharma sharmanitu35 at gmail.com
Tue Jun 9 06:58:59 CEST 2009


Dear all

                     I am on the final step of  MD simulation of membrane
protein . the final mdrun has successfully  completed after that I have
filtered the water from the system .next step is to convert it in final pdb
to view it in pymol for this  I am using "trjconv" in this step I have to
select a group from this option-

Group     0 (      System) has 419010 elements
Group     1 (     Protein) has  9902 elements
Group     2 (   Protein-H) has  7778 elements
Group     3 (     C-alpha) has  1000 elements
Group     4 (    Backbone) has  3000 elements
Group     5 (   MainChain) has  4000 elements
Group     6 (MainChain+Cb) has  4922 elements
Group     7 ( MainChain+H) has  4961 elements
Group     8 (   SideChain) has  4941 elements
Group     9 ( SideChain-H) has  3778 elements
Group    10 ( Prot-Masses) has  9902 elements
Group    11 ( Non-Protein) has 409108 elements
Group    12 (        DMPC) has  5520 elements
Group    13 (         SOL) has 403578 elements
Group    14 (         NA+) has    10 elements
Group    15 (       Other) has 409108 elements
Select a group:

for protein with lipid bilayer which group is suitable can anyone suggest
me?

Becoz a/c to my opinion in group 0 there may be water also but I want to
remove water .
so please if anyone have idea about this please suggest me .

thanks a lot.

Nitu Sharma.
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