Now got the point. Thank you Tsjerk Sir and Prof. David for the help.
On Wed, Jul 31, 2013 at 1:42 PM, Tsjerk Wassenaar wrote:
> Hi Bipin,
>
> If A/C have RMSD 0.4 nm, but A/B and B/C both have RMSD < 0.3 nm, they'll
> end up in the same cluster.
>
> Cheers,
>
> Tsjerk
>
>
> On Wed, Jul 31, 201
Hi Bipin,
If A/C have RMSD 0.4 nm, but A/B and B/C both have RMSD < 0.3 nm, they'll
end up in the same cluster.
Cheers,
Tsjerk
On Wed, Jul 31, 2013 at 9:45 AM, bipin singh wrote:
> Thanks for the reply Prof. David. But in the output it shows that "The RMSD
> ranges from 0.0602553 to 0.411066
On 2013-07-31 09:45, bipin singh wrote:
Thanks for the reply Prof. David. But in the output it shows that "The RMSD
ranges from 0.0602553 to 0.411066 nm"; this is the point of confusion to
me. So I think it should write the snapshots having RMSD greater than 0.3nm
(cutoff) to another cluster.
I s
Thanks for the reply Prof. David. But in the output it shows that "The RMSD
ranges from 0.0602553 to 0.411066 nm"; this is the point of confusion to
me. So I think it should write the snapshots having RMSD greater than 0.3nm
(cutoff) to another cluster.
On Wed, Jul 31, 2013 at 12:59 PM, David van
On 2013-07-31 07:20, bipin singh wrote:
Hello All,
I was trying to do clustering on my MD trajectory using gromos method under
g_cluster module. I got one doubt regarding the output, as I used the
cutoff of 0.3nm for RMSD calculation, I was expecting that all the
snapshots which have RMSD less t
Hello All,
I was trying to do clustering on my MD trajectory using gromos method under
g_cluster module. I got one doubt regarding the output, as I used the
cutoff of 0.3nm for RMSD calculation, I was expecting that all the
snapshots which have RMSD less than or equal to 0.3nm will form the first
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