On Tue, Apr 02, 2024, ABDELATIF MESSAOUDI via AMBER wrote:
>
>I run md simulation using the below file (prod.in) and commands:
>
>imin=0, nstlim=75000000,
!!! Be sure to gain experience with *much* shorter MD runs before trying
something this big.
>Note: The following floating-point exceptions are signalling:
>IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
This note is expected, and no need for worry. Whether or not the
calculation had other problems will require the usual sort of analysis.
If you are new to Amber, start with mdout_analyzer.py.
....dac
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Received on Tue Apr 02 2024 - 14:30:03 PDT
