Re: [AMBER] corrplane in cpptraj and ptraj

From: Michael F. Bruist <m.bruist.usciences.edu>
Date: Fri, 28 Feb 2014 14:59:57 -0500

Thanks, I was using an older version of cpptraj. That accepts both the AmberTools and AmberTools13 formats.

Mike

On Feb 27, 2014, at 6:18 PM, Daniel Roe wrote:

> Hi,
>
> On Thu, Feb 27, 2014 at 12:52 PM, Michael F. Bruist
> <m.bruist.usciences.edu>wrote:
>
>>
>> In both ptraj and cpptraj I do not get an output file and I get the
>> message:
>>
>> Warning: Output of corr, ired, corrired or corrplane vectors is not yet
>> supported!
>>
>
> You are using an out-of-date version of cpptraj. Make sure the output of
> 'cpptraj --version' reads V13.22.
>
>
>>
>> vector corr plane :6.N1.C2,N3,C4,C5,C6 out U6_plane.vec
>>
>
> I don't think you want the period after the N1.
>
> -Dan
>
>
> --
> -------------------------
> 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 Fri Feb 28 2014 - 12:30:07 PST
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