[gmx-users] counting dihedral transitions not working with gmx angle

Mark Abraham mark.j.abraham at gmail.com
Tue Feb 10 18:30:26 CET 2015


On Tue, Feb 10, 2015 at 11:25 AM, Cristi Amariei <fenix.90 at hotmail.it>

> With the tool g_angle used on GROMACS 4.5.6 (and gmx angle used on GROMACS
> 5.0.4) the options  -ot  and -oh do not rispond , giving no number of
> transitions when using the type dihedral .On the contary, using GROMACS
> 4.5.5 this information is given . I was undering how can i get the number
> of dihedral transitions using GROMACS 4.5.6. ? (the multiplicity of
> analyzed dihedrals is 3).

Some idiot Australian Ph.D. student fixed g_angle back then, but g_angle
-ot -type dihedral should do something meaningful after those fixes. Is
there anything like

"Option -ot should only accompany -type dihedral. Disabling -ot."

in the terminal output? What was your command line? How many frames are


> Thanks in advance for any sugestions
> Cristi
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