On Thu, Feb 15, 2024, Kaleem Arshad via AMBER wrote:
> Warning: Unusual bond length 9115:HIE_584.CE1 to 9117:HIE_584.NE2 (2.55)
> Warning: Unusual bond length 9117:HIE_584.NE2 to 9119:HIE_584.CD2 (3.24)
These are very odd, but should probably go away with minimization
.
>When I run minimization, it sometimes failed or sometimes run for initial
>cycles and then says segmentation failure (core dumped) and sometimes says
>there are high energy regions in structure (something like that).
"something like that" is not very helpful. Can you provide the exact error
messages? What (exactly) happens when it "sometimes failed"? What is
different between such runs and others where you get a segmentation fault.
Let us know what program you a running and what the input files contain.
....dac
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Received on Fri Feb 16 2024 - 11:00:02 PST
