[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,




This e-mail and any files transmitted with it are confidential
and intended solely for the use of the individual or entity to
whom it is addressed.  If you are not the intended recipient
you are prohibited from using any of the information contained
in this e-mail.  In such a case, please destroy all copies in
your possession and notify the sender by reply e-mail.  Heriot
Watt University does not accept liability or responsibility
for changes made to this e-mail after it was sent, or for
viruses transmitted through this e-mail.  Opinions, comments,
conclusions and other information in this e-mail that do not
relate to the official business of Heriot Watt University are
not endorsed by it.

More information about the gromacs.org_gmx-users mailing list