[gmx-users] problem in running simulation

Justin A. Lemkul jalemkul at vt.edu
Sat Mar 21 13:01:20 CET 2009

nitu sharma wrote:
> Dear all,
>                  Thanks for solving my problems.But i have one new 
> problem is  I have to Insert my protein into dmpc lipid bilayer before 
> doing simulation that bilayer file i got from teleman website can 
> anybody help me  in doing this process using gromacs-4.0.3.
> clue- I have ,
> - protein pdb file
> -lipid pdb file .
> what should i have to do next using gromacs.

There are a variety of ways to insert your protein.  Many are described in the 
list archive (hint: search!) Another option (again available from Tieleman's 
site) is the InflateGRO program.


> please if anybody knows about that let me know its very critical problem 
> for me.
> Thank you very much in advance.
> Nitu Sharma
> School of life Sciences
> Jawaherlal Nehru University
> New Delhi , India
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Justin A. Lemkul
Graduate Research Assistant
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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