Re: [AMBER] CUDA and Restraint Error

From: Daniel Roe <>
Date: Mon, 7 Jan 2019 12:02:44 -0500


In the future, please use a new subject if your query is unrelated to
the existing email chain.

On Sat, Jan 5, 2019 at 12:08 PM Mehreen Ghufran <> wrote:
> [matrix covar !.H= matrixstack byatom analyze matrix matrixstack out
> kras9_matrix.analyse_output.txt vecs 10]
> MATRIX: Calculating covariance matrix, output is by atom.
> Printing to file kras9_matrix.analyse_output.txt
> Matrix data set is 'Mat_00003'
> Start: 1 Stop: Final frame
> Mask1 is '!.H*'
> Error: [matrix] Not all arguments handled: [ matrixstack analyze matrix
> matrixstack vecs 10 ]

You're specifying invalid keywords to the 'matrix' Action (e.g.
analyze matrix etc). Looks like you may have tried to combine the
'matrix' action with 'diagmatrix' analysis? Please read the manual
entry for both commands.


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Received on Mon Jan 07 2019 - 09:30:02 PST
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