[gmx-users] (no subject)
David van der Spoel
spoel at xray.bmc.uu.se
Thu Feb 21 20:55:51 CET 2002
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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