[gmx-users] Using -all flag in g_angle command

[GAYATHRI S]

The following command generated only two outputs - angaver.xvg and
angdist.xvg:

$ g_angle -f full.xtc -n dangle.ndx -ov -all -type dihedral

The -all flag is supposed to generate graphs for individual angles, but it
didn't.




gmx angle -h suggests -ov -all generates multiple graphs, only the first
> of
> which is the average. What's in the rest of your output file?
>
> Mark
>
> On Wed, Jan 14, 2015 at 7:21 AM, GAYATHRI S <gayathri.s at iitb.ac.in> wrote:
>
>> Hello everyone,
>>
>> I simulated an NADH molecule. I want to check how each of the dihedral
>> angles changes during the simulation. In other words, I want to plot a
>> graph of individual (not average) dihedral angles versus time.
>>
>> To do so, I created an index file using the following command:
>>
>> $ mk_angndx -s full.tpr -n angle.ndx -type dihedral
>>
>> Next, I used the g_angle command as follows:
>>
>> $ g_angle -f full.xtc -n angle.ndx -type dihedral -all
>>
>> However, this command generated only one output file angdist.xvg. The
>> -ov
>> flag generates angles in degrees; but, it gives values in average and I
>> want the same plot for individual angles.
>>
>> Please suggest how to proceed.
>>
>> Thank you.
>>
>> --
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