[gmx-users] Re: Protein coming out of the box

[ravi sharma]

So how could i do this energy conservation,


Ravi Datta Sharma  Lecturer,  Bioinformatics,
Department of Microbiology,
CCS Unversity,
Meerut
                                                          


--- On Sat, 11/10/08, sudheer babu <sudheer.pbm07 at gmail.com> wrote:
From: sudheer babu <sudheer.pbm07 at gmail.com>
Subject: [gmx-users] Re: Protein coming out of the box
To: gmx-users at gromacs.org
Date: Saturday, 11 October, 2008, 4:46 PM

Oh...Similar type of problem once I have got, so got reply from some one in archives that if use comm_grps= protein , protein will not come out of the water box.So thats why I have suggested, If I say wrong answer regret for that


>  Hi,
>  Ravi
>  Use comm_grps = protein in your .mdp file.
> 
> 
>       3. protein coming out of the box (ravi sharma)
>      


No!

You will ruin energy conservation...

> 
>     Hello everyone
> 
>     my protein coming out of the box in final md how can i fix my
>     protein in the middle of the box. can you help me out??

> 
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