Thanks you!
Because of the splitting of the lipids on three residues in Lipid14,
should I use it for the following options?
# calculation of apl for popc bilayer composed of 120 lipids
areapermol OL_area :OL,PA,PC nlayers 2 nmols 60 out apm.dat
nmols should be provided for 1 leaflet only?
Thank you!
James
2017-08-21 15:28 GMT+02:00 Daniel Roe <daniel.r.roe.gmail.com>:
> 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 Wed Aug 23 2017 - 07:00:03 PDT
