Steve,
Have you tried using your first command without a space between ':1-2' and
'.CA,N'?
Scott
On 8/16/06, Steve Seibold <seibold.chemistry.msu.edu> wrote:
>
> Hello
>
> I hope I am not missing something simple, but I do have a simple question
> concerning the use of "ptraj". I am trying to get rms and atomicfluc values
> for specific "atoms" in specific "residues". For example, let say I have a
> protein that is 200 residues and I want to find the rms of CA of only the
> first two residues. I tried the following:
>
>
>
> *rms mass out file.txt time 5 :1-2 .CA,N*
>
>
>
> *atomicfluc out file.txt .CA,N :1-2*
>
> * *
>
> Neither of these commands seems to work. I do get data but it is NOT the
> data I am searching for. In the first case I get all atoms of residues 1 and
> 2. In the second case I get atoms CA and N of the whole protein.
>
>
>
> Am I doing something wrong or does AMBER not do this?
>
>
>
> Thanks, Steve
>
>
>
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Received on Sun Aug 20 2006 - 06:07:05 PDT
