[gmx-users] deletion of some water molecules

[Thomas Piggot]

You can use trjorder to do this

Cheers

Tom

leila karami wrote:
> Dear gromacs users
> 
>  
> 
> I did simulation of protein-dna complex in a box with size 7,7,7. There 
> are 5000 water molecule in this box. After full md simulation, I need a 
> pdb or gro file containing only water molecules being exactly 
> environment of pr-dna complex and not water molecules being in edges or 
> rest of box.
> 
>  
> 
> Is there any way to do that?
> 

-- 
Dr Thomas Piggot
University of Southampton, UK.