[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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