[gmx-users] Phi/Psi

[David]

On Sat, 2004-01-17 at 19:38, Raj Badhan wrote:
> I'm actually interested in plotting the whole of my system, every 
> residue but as one file, as opposed to 463 files!!1

g_angle -h
will tell you to use
g_angle -all

> 
> 
> > On Sat, 2004-01-17 at 18:46, Raj Badhan wrote:
> > > Dear All,
> > > I've tried many option within gromacs to get what i want, and i'm 
> > > confused to bits now.
> > > I want to calculate the Phi/Psi angles average over a certain time.
> > > I need these to be in one file and not for the program to calculate 
> > > the Phi/Psi angles for every amino acid.
> > 
> > if you just want specific phi/psi for a few residues than you can make
> > an index file for your angles and then use g_angle.
> > 
> > > I've tried g_chi/g_angles/g_dih etc. and no luck.
> > > Hope someone could offer some help with this!!!
> > > Many thanks
> > > Raj Badhan
> > > Postgraduate researcher
> > > School of Pharmacy and Pharmacetical Science
> > > The University of Manchester
> > > Manchester, UK.
> > > _______________________________________________
> > > gmx-users mailing list
> > > gmx-users at gromacs.org
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> > -- 
> > David.
> > ________________________________________________________________________
> > David van der Spoel, PhD, Assist. 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
> > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
> > 
> > _______________________________________________
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> 
> 
> Raj Badhan
> Postgraduate researcher
> School of Pharmacy and Pharmacetical Science
> The University of Manchester
> Manchester, UK.
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> 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.
________________________________________________________________________
David van der Spoel, PhD, Assist. 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
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++