[gmx-users] (no subject)
Nguyen Hoang Phuong
phuong at theochem.uni-frankfurt.de
Wed Jul 3 20:12:13 CEST 2002
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,
i j k l
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.
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