On Fri, Jun 28, 2013 at 3:51 PM, Hongyi WU <why0713.sjtu.edu.cn> wrote:
> Hello,
>
>
>
> I have just updated AmberTools to AT13, trying to use the command avgcoord.
>
> However, I still get the following error:
>
>
>
> $ cpptraj -i test.CA.cpptrajin -p T_2HHB.prmtop -y T_2HHB_md3.mdcrd
>
>
>
> CPPTRAJ: Trajectory Analysis. V13.10
>
> ___ ___ ___ ___
>
> | \/ | \/ | \/ |
>
> _|_/\_|_/\_|_/\_|_
>
> INPUT: Reading Input from file test.CA.cpptrajin
>
> [avgcoord 1.CA out CA.coords]
>
> [avgcoord]: Command not found.
>
>
>
> I've learned from http://archive.ambermd.org/201305/0324.html that
> avgcoord
> has indeed been implemented into AT13. So did I miss something?
>
It's the "average" action, not 'avgcoord'. It was "average" in ptraj, too.
The AmberTools manual has a full listing and description of available
commands in cpptraj.
HTH,
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Fri Jun 28 2013 - 14:00:21 PDT
