It should be in the first 100 lines in the out file (whatever file you
denoted after the *-o* flag in pmemd.cuda). The statement says "Note:
Setting random seed to ____ based on wallclock time...". Say the file name
is "prod.out", you can use the command
cat prod.out | grep "Note:"
to find the seed.
HTH,
Skanda
On Thu, Nov 30, 2023 at 6:20 PM Xuebin Feng via AMBER <amber.ambermd.org>
wrote:
> Dear AMBER Community,
>
> I am trying to reproduce the 70 ns to 80 ns interval of a 100 ns
> simulation and write trajectory in a smaller interval. I am not sure how to
> specify the restart point saved at 70 ns as the starting point of the new
> simulation, and I am also not sure where I can find the random seed used in
> the previous simulation (I used ig = -1 in the previous simulation, but I
> think the random seed should be stored somewhere). Can anyone help me with
> this problem. Thanks so much!
>
> Sincerely,
>
> Xuebin Feng
> 4th-Year PhD Student at University of Toronto
> Department of Chemical Engineering and Applied Chemistry
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Received on Thu Nov 30 2023 - 20:30:02 PST
