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.
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