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

ravi sharma rdsharma_4u at yahoo.com
Sat Oct 11 13:30:32 CEST 2008

So how could i do this energy conservation,

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

--- 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)


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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