It says your 02_Heat.in file has ended. Please share it so we can check it.
On Sat, Dec 2, 2023, 1:45 AM Kaleem Arshad via AMBER <amber.ambermd.org>
wrote:
> Hi AMBER Users,
> I am trying to learn AMBER via following AMBER tutorials. During MD
> simulation's step of heating, I got this error message,
> $AMBERHOME/bin/sander -O -i 02_Heat.in -o 02_Heat.out -p parm7 -c
> 01_Min.restrt -r 02_Heat.restrt -inf 02_
> Heat.mdinfo
> At line 719 of file /opt/amber22_src/AmberTools/src/sander/nmrcal.F90
> (unit = 5, file = '02_Heat.in')
> Fortran runtime error: End of file
> Error termination. Backtrace:
> #0 0x7f75a3943960 in ???
> #1 0x7f75a39444d9 in ???
> #2 0x7f75a3b9817b in ???
> #3 0x7f75a3b993c4 in ???
> #4 0x7f75a3b9be41 in ???
> #5 0x7f75a3b9c0e3 in ???
> #6 0x7f76051b9514 in restal_
> #7 0x7f76051bc506 in master.0.nmrcal_
> #8 0x7f76051bbe04 in restlx_
> #9 0x7f76051df9b6 in mdread1_
> #10 0x7f76051a8f36 in sander_
> #11 0x7f76051a7f1f in MAIN__
> #12 0x7f76051a7f84 in main
> I tried many ways, but to no avail. Any help in this regard will be
> greatly appreciated.
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Received on Sat Dec 02 2023 - 03:00:02 PST
