On Fri, Apr 27, 2018, Nikolay N. Kuzmich wrote:
>
> Program received signal SIGSEGV: Segmentation fault - invalid memory
> reference.
>
> Backtrace for this error:
> #0 0x2AF93041FE08
> #1 0x2AF93041EF90
> #2 0x2AF930C834AF
> #3 0x492AFB in __nb_exclusions_mod_MOD_nb_adjust
> #4 0x489A80 in __pme_force_mod_MOD_pme_force
> #5 0x4B4A6C in __runmin_mod_MOD_runmin_master
> #6 0x4E6197 in MAIN__ at pmemd.F90:?
>
> ocurred on the stage of restrained minimization with SPC/E water model in
> serial pmemd.
Can you post the mdin file, so we can see what you mean by "restrained
minimization", and what parameters you have chosen?
Also, can you try this with sander to see what happens there?
....thanks....dave case
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Received on Fri Apr 27 2018 - 09:30:02 PDT
