[gmx-users] center peptide in simulation box

[leila karami]

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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20101103/734e6b9c/attachment.html>