[gmx-users] value of an angle
Carla Jamous
carlajamous at gmail.com
Thu Feb 25 15:11:02 CET 2010
Thank you for your replies,
indeed it worked!
But now, I'm looking for a command line that allows me to calclulate the
RMSF (or if you prefer, the distance between Calpha) between 2 static
structures.
Carla
On Thu, Feb 25, 2010 at 11:55 AM, Amir Marcovitz <amarcovitz at gmail.com>wrote:
> Hi,
>
> if you are interested in a particular angle (between a triad of atoms) you
> can specify it in angle.ndx file (to generate the angles run: mk_angndx -s
> topol.tpr -n angle.ndx)
>
> the -ov flag of g_angle will generate the angle trajectory and the -od flag
> will generate its distribution
>
> cheers
>
> On Wed, Feb 24, 2010 at 10:22 PM, Carla Jamous <carlajamous at gmail.com>wrote:
>
>> Hi everyone,
>> please I'm trying to find a way to calculate the value of an angle during
>> the time of my simulation. g_angle calculates a distribution or an average.
>>
>> Thanks,
>> Carla
>>
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>>
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>
>
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