Re: [AMBER] water mediated H-Bond analysis

From: case <>
Date: Sat, 26 Feb 2011 13:54:44 -0500

On Sat, Feb 26, 2011, Sangita Kachhap wrote:
> Yes I have used mask as suggested but again getting same warning
> acceptor mask :1-24,26-43,45-47,48-57,59-73,75-146.N
> :1-24,26-43,45-47,48-57,59-73,75-146.H

Are you really looking carefully at the prolines? The above mask suggests
you have prolines at residues 25,44,58 and 74 (4 total). Is that correct?
Note that is is odd that your mask has "45-47,48-57".

You should probably just experiment: start with a simple mask that works, keep
adding to it until you find what it is that breaks. There is a limited amount
of help that can come from a mailing list.


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Received on Sat Feb 26 2011 - 11:00:02 PST
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