[gmx-users] making a artificial layer
0006450S at student.gla.ac.uk
Mon Feb 9 20:44:01 CET 2004
i am using gromacs for my fourth year project which involves investigating the electrical double layer.
i have made a fake atom which i have inserted into a box of water. My problem is that i have to create a layer of these atoms within a box, which effectively splits the box into two parts of water. I can then simulate the effect that these atoms have on the water molecules themselves.
How do i make the solid layer of "fake" atoms?? i think i need to use position restraints but i dont know how.
University of Glasgow
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