Shayla Fitzsimmons wrote:
I have a box which contains a slab of carbon (solid) that is centered within the
box. However, I want the slab to be at the very right side of the box - I know
I must use editconf -translate to do this, however I cannot seem to make it
work.
The slab is centered has the same height and width (y and z coordinates) of the
box, however it is one third of the length (the x coordinate). Graphically, at
the moment, it looks like this:
_____________________
| xxxxxxx |
| xxxxxxx |
|_______xxxxxxx_______|
Where 'xxxxxx' is my slab (that is how the view comes up when I open the file in
rasmol).
The dimensions of the box (as listed in the .gro file) are 13.90030 4.02160
5.36640
As I previously said, I want the slab to be on the right side of the box, not
the center, however I have tried several different things and it does not seem
to want to work for me (however, I am unsure if I am using the proper values
for -translate).
What X Y Z coordinates should I use for this to translate it?
the difference between new and old com. most likely 5 0 0 will do the trick.
Thanks!
S F
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
--
David.
________________________________________________________________________
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
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
