AMBER Archive (2008)

Subject: Re: AMBER: aggregation or cluster detection

From: Lachele Foley (Lists) (lf.list_at_gmail.com)
Date: Thu Aug 07 2008 - 10:44:07 CDT

We've got something that might help you. It's not in pretty enough
form to show to the whole world, but it would probably work well for
the sort of thing you're doing. We're willing to share it with you if
you want to try it out. Write me off list if you're interested.

:-) Lachele

On Thu, Aug 7, 2008 at 9:41 AM, <fatima.chami_at_durham.ac.uk> wrote:
> Dear Amber's users,
>
> I am looking at the aggregation of solute molecules in explicit water. From VMD
> i can see formation of clusters. I am desperate for a way to detect clustering
> on a long MD trajectories.
>
> I have downloaded th MMSTB tool set but this does only clustering analysis on
> conformations and what I am looking is nucleation rate or in an other word
> formation of clusters.
>
> If any one has come across this matter..I will be glad to know
>
> I am not sure if the VMD package can extract such information from an MD
> trajectories
>
> best wishes
> Fatima
>
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-- 
:-) Lachele
Lachele Foley
CCRC/UGA
2-0263
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