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
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 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
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 bipinel...@gmail.com wrote:
Thanks for the reply Prof. David. But in the output it shows that The RMSD
ranges from
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 tsje...@gmail.com 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
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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