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