[gmx-users] (no subject)

[Rainer Boeckmann]

Hi,

You have to use

g_angle -n angle.ndx -ov

Unforunately it is necessary to define only ONE dihedral in angle.ndx since g_angle
calculates averages ;-(

Gruesse,
rainer

Nguyen Hoang Phuong wrote:

> Dear Dr. David van der Spoel,
>
> g_chi program can only give me the distribution of phi (or psi). I would
> like to see  phi=phi(t) (or  psi=psi(t)).
>
> Phuong
> ------
>
> > On Thu, 21 Feb 2002, Nguyen Hoang Phuong wrote:
> >
> > >I am a new Gromacs user. I have simulated the small peptide in H2O. I would like to see
> > >the functions phi=phi(t) or psi=psi(t). I am not very
> > >family with the output files and it will take time to extract
> > >data. Therefore any help to plot this function is appreciated.
> >
> > Check out the g_chi program. It does all that you want.
> >
> > 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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--
Rainer Böckmann
Theoretical Molecular Biophysics Group
Max-Planck-Institute for Biophysical Chemistry
Am Faßberg 11
D-37077 Göttingen

Tel.: +49(551)201-1141, Fax.: +49(551)201-1089
email: rboeckm at gwdg.de


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