On 6/28/12 10:11 AM, [email protected] wrote:
Hi everybody,
I have an protein structure with many dummy atoms around it simulating the
membrane around the protein. Those dummy atoms are signed in the file as
an ATOM.
When I want to put this protein with the membrane in a box with the command
editconf -f 3m71.gro -o 3m71_box.gro -bt dodecahedron -d 1.0 2>>logErr
1>>logOut
it removes the membrane dummy atoms except of one Dummy atom. How can that
be.
What do I have to change?
Does the second line of the .gro file specify the correct amount of atoms? The
only reason I know of that editconf will truncate the file is if this line is
incorrect.
-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
* Only plain text messages are allowed!
* 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
