Hi,
You can try adding an empty line at the end of the input. Might be the
parsing ends before reaching the end of the file.
Hope it helps,
Sadaf Rani <sadafrani6.gmail.com> schrieb am Sa., 26. Feb. 2022, 15:48:
> Dear Amber users
> I am trying to simulate a protein-ligand complex. At minimization step I am
> getting this strange error:-
> sander -O -i min1.in -p complex2.prmtop -c complex2.inpcrd -r
> complex_H_min.rst -o complex_H_min_water.out
> At line 745 of file mdread1.F90 (unit = 5, file = 'min1.in')
> Fortran runtime error: End of file
>
> Error termination. Backtrace:
> #0 0x7fea21518d5a
> #1 0x7fea21519869
> #2 0x7fea2151a54f
> #3 0x7fea2175dc5b
> #4 0x7fea2175ef3c
> #5 0x7fea21761a9e
> #6 0x7fea21761d0c
> #7 0x7fea21761e67
> #8 0x55ce2eebcdee
> #9 0x55ce2ee8864f
> #10 0x55ce2ee87655
> #11 0x55ce2ee876b4
> #12 0x7fea211950b2
> #13 0x55ce2ee15b7d
> #14 0xffffffffffffffff
>
> Input file for minimization is as under:-
> Minimize
> &cntrl
> imin=1,
> ntx=1,
> irest=0,
> maxcyc=2000,
> ncyc=1000,
> ntpr=100,
> ntwx=0,
> cut=8.0,
> /
> I am not getting how I should fix this error?
> Any help is really appreciated.
> Thanks in advance.
> Regards
> Sadaf
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Received on Sat Feb 26 2022 - 07:30:02 PST
