On Tue, May 09, 2023, Dulal Mondal via AMBER wrote:
>
>I am running a CpHMD simulation in PMEMD.MPI. My restart (rst7) file
>contains time information. But in my "out" file, it shows that "begin time
>read from input coords =********** ps."
>
>Again in my cpout file there is no time information.
>Solvent pH: 7.00000
>Monte Carlo step size: 500
>Time step: 500
>Time: **********
>
>
>My starting rst7 file is like this:
>
>cpptraj Generated Restart
>53068 1.0023000E+06
> 9.6432337 32.1479021 -3.7166582 8.9814729 31.6945622 -3.0722205
Some formats look broken when the time runs above 1,000,000 ps or 1
microsecond. As a workaround, you can manually reset the starting time
(second number, second line) back to zero. That should allow you to run
another microsecond before the space for the time overflows again.
I don't know what code write the cpout file, but my guess is that it is
pretty trivial to give it a wider field.
....dac
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Received on Tue May 09 2023 - 11:30:02 PDT
