On Wed, Mar 09, 2011, hari krishna wrote:
>
> I am trying to minimise the DNA and ligand system. the following is the
> error i got in min.out; no other information, and the input file I used is
> mentioned below.. What might be the wrong, where should i take care, while
> running the minimization and the job is aborted.. Please give me some tips
> and correction to improve this
>
> | Flags: MPI USE_MPI_IN_PLACE
> getting new box info from bottom of inpcrd
> | INFO: Old style inpcrd file read
>
> peek_ewald_inpcrd: SHOULD NOT BE HERE
We need to know how you made the inpcrd file: is it for a periodic system?
What is its last line?
....dac
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Received on Wed Mar 09 2011 - 08:00:06 PST
