[gmx-users] making a artificial layer

Shuaib Shahid 0006450S at student.gla.ac.uk
Mon Feb 9 20:44:01 CET 2004

hi all;

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.


shuaib shahid
University of Glasgow 

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