On 3/11/2010 9:04 PM, leila karami wrote:
Dear Mark Abraham
In March 2010, In reply to question about [center peptide in
simulation box], You answered:
OK, well keep playing with the trjconv options and choosing sensible groups for
centering until you find something that pleases you. You may
need to do two different trjconv operations - one to center the peptide and one
to group the waters in the same periodic cell as the peptide.
I want to know how can I do last (group the waters in the same periodic cell as
the peptide)?
I'd find the answer to this by reading trjconv -h and experimenting :-)
Mark
--
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
