Re: [AMBER] Rotation Matrix

From: David A Case <>
Date: Sat, 16 Oct 2021 07:40:51 -0400

On Sat, Oct 16, 2021, mohamed marzouk wrote:

>I tried savematrices option but it is saved as dataset not output file as in attached photo !!!
>rmsd ToFirst :1-198&!.H= first savematrices out rmsd_first_protein_testmatrices2.agr

You need the "matricesout" option. Type "help rmsd" at the cpptraj prompt,
or get a bit more expanded description from the Reference Manual.


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Received on Sat Oct 16 2021 - 05:00:02 PDT
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