[gmx-users] (no subject)
ernesto at biof.ufrj.br
ernesto at biof.ufrj.br
Wed Jul 3 19:55:28 CEST 2002
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.
More information about the gromacs.org_gmx-users
mailing list