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)? -- Leila Karami Ph.D. student of Physical Chemistry K.N. Toosi University of Technology Theoretical Physical Chemistry Group
-- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
