[gmx-users] Phi/Psi

[Raj Badhan]

I'm actually interested in plotting the whole of my system, every 
residue but as one file, as opposed to 463 files!!1


> 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.
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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.