[gmx-users] clusterization in dihedral space

[francesco oteri]

Thank you,
but I don't see how performing cluster analysis with g_angle

Francesco


2013/1/21 Justin Lemkul <jalemkul at vt.edu>

>
>
> 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 specific!
>> http://lists.gromacs.org/**pipermail/gmx-users/2006-**August/023230.html<http://lists.gromacs.org/pipermail/gmx-users/2006-August/023230.html>
>>
>> It is still true?
>>
>>
> Yes, and it is for this reason that g_dih has been removed from Gromacs.
>  You can likely accomplish whatever you're trying to do with g_angle.
>
> -Justin
>
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-- 
Cordiali saluti, Dr.Oteri Francesco