On 1/22/13 1:17 PM, francesco oteri wrote:
Thank you Mark and Justin,
do you have any reference where this kind of clustering is explained?
What clustering? I assumed that you had a definition of what you wanted to
define when you posed the original question.
I mean, since i need a para
Thank you Mark and Justin,
do you have any reference where this kind of clustering is explained?
I mean, since i need a parameter representing the difference between two
frames
to build the matrix, what is the parameter I can use starting from the
dihedrals?
Francesco
2013/1/22 Mark Abraham
On Mon, Jan 21, 2013 at 8:06 PM, francesco oteri
wrote:
> Thank you,
> but I don't see how performing cluster analysis with g_angle
>
g_dih never did do any clustering. As Justin said, g_angle with a suitable
index group likely does the job for you.
Mark
--
gmx-users mailing listgmx-users@g
On 1/21/13 2:06 PM, francesco oteri wrote:
Thank you,
but I don't see how performing cluster analysis with g_angle
You may have to do some post-processing yourself, but g_angle can certainly
measure dihedrals and produce distributions.
-Justin
--
Thank you,
but I don't see how performing cluster analysis with g_angle
Francesco
2013/1/21 Justin Lemkul
>
>
> On 1/21/13 1:54 PM, francesco oteri wrote:
>
>> Dear gromacs users,
>> I am trying to run dihedral space clustering with g_dih,
>> but I found that it gives me a lot of error like:
>
On 1/21/13 1:54 PM, francesco oteri wrote:
Dear gromacs users,
I am trying to run dihedral space clustering with g_dih,
but I found that it gives me a lot of error like:
Dihedral around 24,26 not found in topology. Using mult=3
Looking on the net, I found something alarming: g_dih is gromos sp
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