Cat,
Exactly as the error suggests, you are using the wrong syntax. You
want something like:
atomicfluct out filename.out :residues.atoms byres bfactor
See the AmberTools manual for more info -- the ptraj section is
actually very detailed.
Paul
On Jun 17, 2010, at 9:01 AM, Catein Catherine wrote:
>
> Dear Sir/Madam,
>
>
>
> I have problem to run this ptraj file
>
>
> =
> =
> =
> =
> =
> =
> ======================================================================
>
> trajin ../md0.mdcrd.gz
> atomicfluct out_bfactor c.bfactor byres bfactor
>
> =
> =
> =
> =
> =
> =
> ======================================================================
>
>
>
> The following error, happens everytime
>
>
>
> =
> =
> =
> =
> =
> =
> =
> =
> ======================================================================
>
> ...
> WAT WAT WAT WAT
> PTRAJ: Processing input from "STDIN" ...
>
> PTRAJ: trajin ../md0.mdcrd.gz
> Checking coordinates: ../md0.mdcrd.gz
>
> PTRAJ: atomicfluct out_bfactor c.bfactor byres bfactor
>
> ERROR in tokenize(): wrong syntax
> =
> =
> =
> =
> =
> =
> =
> =
> ======================================================================
>
>
>
> Best regards,
>
> Cat
>
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Received on Thu Jun 17 2010 - 09:30:07 PDT
