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Hi,
<p>You have to use
<p>g_angle -n angle.ndx -ov
<p>Unforunately it is necessary to define only ONE dihedral in angle.ndx
since g_angle calculates averages ;-(
<p>Gruesse,
<br>rainer
<p>Nguyen Hoang Phuong wrote:
<blockquote TYPE=CITE>Dear Dr. David van der Spoel,
<p>g_chi program can only give me the distribution of phi (or psi). I would
<br>like to see phi=phi(t) (or psi=psi(t)).
<p>Phuong
<br>------
<p>> On Thu, 21 Feb 2002, Nguyen Hoang Phuong wrote:
<br>>
<br>> >I am a new Gromacs user. I have simulated the small peptide in H2O.
I would like to see
<br>> >the functions phi=phi(t) or psi=psi(t). I am not very
<br>> >family with the output files and it will take time to extract
<br>> >data. Therefore any help to plot this function is appreciated.
<br>>
<br>> Check out the g_chi program. It does all that you want.
<br>>
<br>> Groeten, David.
<br>> ________________________________________________________________________
<br>> Dr. David van der Spoel, Biomedical
center, Dept. of Biochemistry
<br>> Husargatan 3, Box 576,
75123 Uppsala, Sweden
<br>> phone: 46 18 471 4205
fax: 46 18 511 755
<br>> spoel@xray.bmc.uu.se spoel@gromacs.org <a href="http://zorn.bmc.uu.se/~spoel">http://zorn.bmc.uu.se/~spoel</a>
<br>> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
<br>>
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<pre>--
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@gwdg.de</pre>
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