[gmx-users] deletion of some water molecules
t.piggot at soton.ac.uk
Tue Aug 31 14:51:57 CEST 2010
You can use trjorder to do this
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.
More information about the gromacs.org_gmx-users