Re: [AMBER] water mediated H-Bond analysis

From: Sangita Kachhap <sangita.imtech.res.in>
Date: Sun, 27 Feb 2011 12:54:47 +0530 (IST)

Sorry I was mail mask as am example

I am using following mask
acceptor mask
:20-36,38-74,76-113,115-132,134-182,184-194,196-218,220-256,258-280.N
:20-36,38-74,76-113,115-132,134-182,184-194,196-218,220-256,258-280.H
acceptor mask :19.N :19.H1
acceptor mask :19.N :19.H2

Actually I was including N atom of 19th residues in first acceptor mask so It
was giving warning now it reading all masked atom properly.


> 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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Sangita Kachhap
JRF
BIC,IMTECH
CHANDIGARH


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Received on Sat Feb 26 2011 - 23:30:02 PST
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