Re: [AMBER] peek_ewald_inpcrd: SHOULD NOT BE HERE

From: hari krishna <haricoolguy111.gmail.com>
Date: Thu, 10 Mar 2011 09:50:11 +0530

I have attached my Inpcrd file of the solvated ligand DNA system.

Please find in attachemnts


On Wed, Mar 9, 2011 at 9:05 PM, David A Case <case.biomaps.rutgers.edu>wrote:

> 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 - 20:30:04 PST
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