AMBER Archive (2006)

Subject: Re: AMBER: analysing water behavior during MD

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Hi ...

... have a look at this answer from Thomas Cheatham, maybe it's suited
to solve your problem:

http://amber.ch.ic.ac.uk/archive/200411/0042.html

Bye,

Fabian

Vlad Cojocaru wrote:
> Dear amber users,
>
> I am interested to extract information about water from amber
> trajectories... For example to identify possible water channels in a
> protein or high occupancy water spots inside the macromolecule (having
> the results represented as color maps drawn according to occupancy).
> I have never done this type of analysis and I was wondering if
> anybody could point me to software that can do this or at least point me
> to some references that describe such type of analysis..
>
> Thank you very much in advance
> vlad
>

-- 
Fabian Bös
Institute of Technical Biochemistry
University of Stuttgart / Germany
Phone:   +49-711-6857481
Fax:     +49-711-6853196
Email:   fabian.boes_at_itb.uni-stuttgart.de
http://www.itb.uni-stuttgart.de
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• Next message: Ross Walker: "RE: AMBER: problem in saving parameter file for non-standard residue"
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