[AMBER] time correlation

From: Dulal Mondal via AMBER <amber.ambermd.org>
Date: Tue, 21 Mar 2023 11:38:19 +0530

Dear Experts,
I have created time series data externally. From them I calculate average
life time using the following command
readdata fortranpath2.dat

runanalysis lifetime out lt2.dat lifetime fortranpath2.dat:2

go

Then I get an average life time of 2.0976 units. (is the unit in ps?). I
got another file as crv.

I uploaded the two files.

>From the crv file it is found that mydata decorellate at 6th frames. I have
200000 frames and a time step between two consecutive frames is 5 ps. How
can I calculate life time?


Another problem is I am trying to calculate time correlation using the
following command

readdatafortranpath2.dat
 timecorr vec1 fortranpath2.dat:2 out v1.out order 2

go

But I get the following error message.

INPUT: Reading input from 'timecor.in'
  [readdata fortranpath2.dat]
Reading 'fortranpath2.dat' as Standard Data File with name
'fortranpath2.dat'
DataFile fortranpath2.dat has 2 columns, 200000 lines.
Read 2 data sets.
  [timecorr fortranpath2.dat:2 out v1.out order 2]
Error: no vec1 given, ignoring command
Error: Could not setup analysis [timecorr]
1 errors encountered reading input.
TIME: Total execution time: 0.0806 seconds.
Error: Error(s) occurred during execution.

 Thanking you
~


-- 
*With regards,*
*Dulal Mondal,*
*Research Scholar,*
*Department of Chemistry,*
*IIT Kharagpur, Kharagpur 721302.*




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Received on Mon Mar 20 2023 - 23:30:02 PDT
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