> You need the "matricesout" option. Type "help rmsd" at the cpptraj prompt,
> or get a bit more expanded description from the Reference Manual.
I tried matricesout but still not working
The error message !!!
Error: [rmsd] Not all arguments handled: [ matricesout test4[RM] ]
The commands tried
rmsd test1 :1-198&!.H= first out rmsd_first_protein_testmatrices2.agr savematrices matricesout
rmsd test3 :1-198&!.H= first out rmsd_first_protein_testmatrices2.agr savematrices matricesout test.agr
rmsd test4 :1-198&!.H= first out rmsd_first_protein_testmatrices2.agr savematrices matricesout test4[RM]
I am using
CPPTRAJ: Trajectory Analysis. V17.00
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
Mob. and WhatsApp.:
+81 070-4070-9549
+2 01061417414
> On Reiwa 3 Oct 16, at 20:40, David A Case <david.case.rutgers.edu> wrote:
>
> 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.
>
> ...dac
>
>
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Received on Sat Oct 16 2021 - 05:30:02 PDT
