Re: [AMBER] Calculation the Area per lipids using cpptraj

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Mon, 21 Aug 2017 09:28:04 -0400

Hi,

I recommend just using the 'areapermol' action from cpptraj which
performs the same procedure in a simpler fashion.

-Dan


On Mon, Aug 21, 2017 at 4:19 AM, James Starlight <jmsstarlight.gmail.com> wrote:
> Dear all,
>
> there is some problem in the script for calculation of area per lipids
> following the lipid tutorial.
>
>
> If I have in the cpptraj script the following string:
>
> vector test * box out vector.dat
>
> I have obtained the error from cpptraj:
>
> VECTOR: Type Box, output to vector.dat
> Error: [vector] Not all arguments handled: [ * ]
> 1 errors encountered reading input.
> TIME: Total execution time: 0.2326 seconds.
>
> If I have the same string without atom selection:
> vector test box out vector.dat
>
> there is no error.
>
> How the syntax should be corrected?
>
> Thanks!
>
> James
>
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-- 
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Mon Aug 21 2017 - 06:30:04 PDT
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