[gmx-users] make index groups with make_ndx

[reisingere at rostlab.informatik.tu-muenchen.de]

Thank you very much for your answer.
I managed it now to get the right index groups.

> The selections are boolean (like a search).
>
> So to include both 6 and 7 you would use 6 | 7 (make the selection of 6 or
> 7)
>
> so you probably want something like ! res65 | ! res 6 etc.
>
>
> On 2012-09-18 10:56:14AM +0200,
> reisingere at rostlab.informatik.tu-muenchen.de wrote:
>> Hi everybody,
>>  I want to make two index groups for my protein. The first one should
>> contain the whole protein except of the residues :
>> TYR65, Pro6, Phe7, Tyr61, Arg64, Tyr80
>>
>> I tried it with the arguments:
>> "protein" &! res 65 &! res 6 &! res 7 &! res 61 &! res 64 &! res 80
>> "protein" &! res 65 6 7 61 64 80
>>
>> Both didn't work.
>>
>> The other index group should only contain the residues:
>> TYR65, Pro6, Phe7, Tyr61, Arg64, Tyr80
>>
>> Here I tried:
>> res 6 & res 7 & res 61 & res 64 & res 65 & res 66
>>
>> This worked.
>>
>> So I don't understand why the negation of this command did not work in
>> the
>> first index group.
>>
>> Can you please help me?
>>
>> Thank you,
>>  Eva
>>
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