[gmx-users] mass density
David van der Spoel
spoel at xray.bmc.uu.se
Wed Mar 2 08:53:25 CET 2005
On Wed, 2005-03-02 at 00:33 -0600, Dinesh Pinisetty wrote:
> Hello everybody,
> I want to analyze lipid/water/alcohol system.I have following
> 1) Does g_density give mass density profiles.
> If we use g_density -f traj.xtc -s topol.tpr -n index.ndx -o density.xvg
> and if we select residue name of alcohol,does this give mass density
> profile of the alcohol.
If all is well it does (or number density)
> 2) How to get the orientation of the water dipole,I mean a graph of mean
> cosine angle of water dipole and bilayer normal.Does any of the commands
> directly give the cosine function values.
> 3) I have created an index.ndx file such that I had [sn-1] and [sn-2] tails
> in it.I want to look at the order parameter of sn-1 and sn-2.When I used
> g_order its giving me error saying that gr1 atoms does not match with gr1
> atoms.Is there any specific way to prepare an index file for finding order
> parameter using g_order.
> Any suggestions would be greatly appreciated.
> Thanking you,
> Yours sincerely,
> gmx-users mailing list
> gmx-users at gromacs.org
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
More information about the gromacs.org_gmx-users