Hello,
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
How to save this dataset as output file?
Best regards,
Mohamed Marzouk Sobeh
Ph.D student at Life Science and Technology, Tokyo Institute of Technology, Tokyo, Japan.
T.A Physics department,Ain Shams University, Cairo, Egypt.
Emails:
mohamed_marzouk.sci.asu.edu.eg
marzouk.aa.m.titech.ac.jp
marzouk_biophysics.yahoo.com
mohamedmarzoukphysics.gmail.com
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> On Reiwa 3 Oct 10, at 21:29, David A Case <david.case.rutgers.edu> wrote:
>
> On Sun, Oct 10, 2021, mohamed marzouk wrote:
>
>> During my dissociation simulation for protein/DNA complex the system rotate
>> (noticed during visual inspection), So I want to quantify this rotation.
>
> If you are talking about the entire system (protein + DNA) rotating: that is
> unlikely to be of much interest (aside from its use in estimating rotational
> diffusion.) Even a non-dissociating system will rotate (and translate)
> during MD.
>
>> - How can I get the rotation matrix by CPPTRAJ from the reactive trajectory ?
>
> Use the savematrices option in the rmsd command.
>
> ....dac
>
>
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Received on Sat Oct 16 2021 - 03:30:02 PDT
