[gmx-users] (no subject)

[David]

On Wed, 2002-07-03 at 20:12, Nguyen Hoang Phuong wrote:
> 
> Hi Ernesto,
> 
> I think you can use the g_angle program with the option - ov and defining
> the index file angle.ndx containing the dihedral angle which you want 
> to compute e.g, 
> 
> [ dihedral]
> i j  k l
> 
> regards,
This will work selectively if you just want a few. If you want'em all
just type
g_chi -all

> 
> Phuong
> 
> 
> On Wed, 3 Jul 2002 ernesto at biof.ufrj.br wrote:
> 
> > 
> > Hello everybody,
> > I  want to know how to compute the sidechain dihedral angles as a function of 
> > time. The g_chi program calculates the dihedral autocorrelation functions and 
> > I'm only interested in the dihedral values as a function of time. I have tried 
> > to run the program without the option -c, but the program stops and asks for 
> > the ".gro" file. I have also tried to use the 
> > g_chi using the –maxchi option but the result is the same. 
> > g_dhi program doesn't resolve my problem. 
> > Do I have to put a special input parameter to get what I need?
> > If  anybody can help me, I would appreciate the information.
> > Thanks in advance.
> > Ernesto.
> > 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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