AMBER Archive (2009)

Subject: Re: [AMBER] out error

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Tue Feb 03 2009 - 13:18:39 CST

please tell us more so we can help:
 how did you build the inpcrd? did you specify a periodic system when
building it? is that consistent with your choice for ntb in min1.in?
what program versions did you use for each step?

On Tue, Feb 3, 2009 at 1:58 PM, . .. <m.o.m_at_live.fr> wrote:
>
> Hi,
>
> i obtain this output message when i run = sander -O -i min1.in -o min1.out -p D.prmtop -c D.inpcrd -r min1.rst
> whath's wrong?
>
>
> 1. RESOURCE USE:
> --------------------------------------------------------------------------------
>
> | Flags:
> getting new box info from bottom of inpcrd
> | INFO: Old style inpcrd file read
>
> | peek_ewald_inpcrd: Box info not found in inpcrd
> |Largest sphere to fit in unit cell has radius = 0.000
>
> thanks in advance
>
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