On 2010-03-02 00.13, ROHIT MALSHE wrote:
Hi All,
Greetings !
I have a question about g_cluster.
I have a configuration of Lennard Jones particles. For each particle I
calculate an individual bond orientational order parameter Q4. Based on
this order parameter I want to calculate the clusters in the system.
Meaning - particles connected to each other sharing similar values of
Q4. How would I have to go about this problem ?
Thanks in advane.
- Rohit
You need to implement a criterion like this in the program, instead of
the RMSD matrix.
--
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
sp...@xray.bmc.uu.se http://folding.bmc.uu.se
--
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/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/mailing_lists/users.php
