Re: [AMBER] water mediated H-Bond analysis

From: case <case.biomaps.rutgers.edu>
Date: Sat, 26 Feb 2011 15:42:30 -0500

On Sat, Feb 26, 2011, case wrote:

> 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?

Another thing to check: if residue 1 is a protonated NH3 group, then it won't
have an atom named "H" either.

...dac


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Received on Sat Feb 26 2011 - 13:00:05 PST
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