Re: [AMBER] AMBER14 Tutorial: Lipid14 Edition

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Sat, 2 Aug 2014 10:46:22 -0600

Hi,

The 'vector box' functionality does not require a mask. Try removing
'*' from your input.

-Dan


On Fri, Aug 1, 2014 at 12:03 PM, Shekter, Lee R <lshekter.bu.edu> wrote:
> I am using AMBER14, running on CentOS 6.4. I had an error which does not appear on the reflector list.
>
> I followed the tutorial to the letter (except for the actual lipid, see below) and everything went smoothly up until the analysis part. I fed the input file into cpptraj using the following command as per the tutorial:
>
> %cpptraj –i box_dimension.cpptraj –p DMPC_128.prmtop
>
> (I made the lipid out of DMPC, rather than DOPC, since DMPC is biologically more relevant to me)
>
> and this was the output:
>
>
> CPPTRAJ: Trajectory Analysis. V14.05
>
> ___ ___ ___ ___
>
> | \/ | \/ | \/ |
>
> _|_/\_|_/\_|_/\_|_
>
> Reading 'DMPC_128.prmtop' as Amber Topology
>
> INPUT: Reading Input from file box_dimension.cpptraj
>
> [trajin 04_Hold_1.nc]
>
> Reading '04_Hold_1.nc' as Amber NetCDF
>
> [trajin 04_Hold_2.nc]
>
> Reading '04_Hold_2.nc' as Amber NetCDF
>
> [trajin 04_Hold_3.nc]
>
> Reading '04_Hold_3.nc' as Amber NetCDF
>
> [trajin 04_Hold_4.nc]
>
> Reading '04_Hold_4.nc' as Amber NetCDF
>
> [trajin 04_Hold_5.nc]
>
> Reading '04_Hold_5.nc' as Amber NetCDF
>
> [trajin 04_Hold_6.nc]
>
> Reading '04_Hold_6.nc' as Amber NetCDF
>
> [trajin 04_Hold_7.nc]
>
> Reading '04_Hold_7.nc' as Amber NetCDF
>
> [trajin 04_Hold_8.nc]
>
> Reading '04_Hold_8.nc' as Amber NetCDF
>
> [trajin 04_Hold_9.nc]
>
> Reading '04_Hold_9.nc' as Amber NetCDF
>
> [trajin 04_Hold_10.nc]
>
> Reading '04_Hold_10.nc' as Amber NetCDF
>
> [trajin 05_Prod.nc]
>
> Reading '05_Prod.nc' as Amber NetCDF
>
> [vector test * box out vector.dat]
>
> VECTOR: Type Box, output to vector.dat
>
> Error: [vector] Not all arguments handled: [ * ]
>
> 1 errors encountered reading input.
>
> TIME: Total execution time: 0.1289 seconds.
>
> There was no output. What does that error mean:
> Error: [vector] Not all arguments handled: [ * ] ?
>
> Thank you,
>
> Lee Shekter
> Boston University
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber



-- 
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Sat Aug 02 2014 - 10:00:02 PDT
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