On 1/29/13 2:43 PM, az kalsom wrote:
hi ,
when i use "editconf" to generate a dodecahedron box with the command
editconf -f conf.gro -o newbox.gro -bt dodecahedron -d 1.0
the output shows the warning
bad box in file
generated a new cubic box 9.213 x 2.495 x 2.960
what is the mean of "bad box in file"?
and why editconf generates a cubic box?
Whatever input you have provided is malformatted.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
--
gmx-users mailing list [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
