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

[David van der Spoel]

sudheer babu wrote:
>  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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-- 
David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se