[gmx-users] Solid layer
spoel at xray.bmc.uu.se
Wed Dec 22 22:19:51 CET 2004
On Wed, 2004-12-22 at 17:39 +0000, M.Naser wrote:
> 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.
emacs or another text editor. CHekc chpater 5 of the manual
> 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.
> gmx-users mailing list
> gmx-users at gromacs.org
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
More information about the gromacs.org_gmx-users