On Mon, 10 Nov 2008 11:09:01 +0530
"anirban polley" <[EMAIL PROTECTED]> wrote:
Hi,
I know that deuterium order parameter can be calculated by g_density
but it calculate average deuterium order parameter of a type of lipid Vs.
atom number of the tail of the lipid.
But I want to calculate deuterium order parameter fluctuation over the
area. i.e., I want to know to calculate Scd per area of the membrane. Could
you tell me how to do it.
You may want to generate an index that would give the lipids in the area
you are interested in. This would work for the thickness, the density and
S_CD. You'll need to make the index by a script of your own as make_ndx
does not select based on positions bu only on names etc. It is not difficult
anyways.
XAvier.
Thanks,
Anirban
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.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 [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
-----------------------------------------------------
XAvier Periole - PhD
- Molecular Dynamics Group -
Computation and NMR
University of Groningen
The Netherlands
-----------------------------------------------------
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.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 [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
