[gmx-users] Solid layer

M.Naser mn2 at hw.ac.uk
Wed Dec 22 18:39:24 CET 2004


Hi David,

I have been trying to create a silicon layer. I checked the mail archives
and found the following solution:

solution:  (by david)

start with your one atom in a small box (e.g. 0.2 x 0.2 x 0.2 ) alone.
then use genconf to generate a layer:
genconf -f conf -o kkk -nbox 20 20 1
then run editconf to change your box to the required size (and center
your layer)
editconf -f kkk -box 4 4 4 -center 2 2 2 -o lll
then fill it with water:
genbox -cp lll -cs spc216 -o mmm

Could you please tell what programme I suppose to use to start with.

With best regards,

Abu


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