[gmx-users] density profile of bilayers

[priyanka srivastava]

Dear all,

I wish to calculate the density profile of a lipid bilayer i.e the electron density and this is how I am using the g_density command:

g_density -f final.trr -s final.tpr -ei electrons.dat -o density.xvg -ed -symm

where electrons.dat contains # of electrons information for each and every atomtype defined in the system e.g.
C2A = 6
NTM = 7
OA   = 8 etc....

However it reports electron density for 50bins (setup by -sl) which ranges from 0 to 50. However I want it to vary from, -30 to +30. 

Another point is, I want the density profile separately for P, N, acyl, water etc. Should I define a separate electrons.dat for this purpose? 

Kindly suggest me as to how should I proceed,
eagerly waiting for your reply,
Priyanka S...

       
---------------------------------
Looking for a deal? Find great prices on flights and hotels with Yahoo! FareChase.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20071016/2e55bbda/attachment.html>