Since you didn't post what input you used I can only guess, but it seems
like you are specifying periodic boundary conditions (ntb > 0) but your
coordinates have no box information. Either set ntb to 0 or add a box.
-Dan
On Tue, Jul 21, 2015 at 3:29 PM, Mohsen Zakeri <mohsen.zakery.gmail.com>
wrote:
> Hi,
>
> I am trying to run a minimization for a protein-ligand complex using
> sander. I produce the "prmtop" and "inpcrd" files with leap program for the
> pdb file. but when I try to run the sander minimization command I get the
> following line in the "min.out" as an error:
> "peek_ewald_inpcrd: Box info not found in inpcrd".
> Can any body help me with this error?
>
>
> *The sander command I used is this:*
> sander -O -i min.in -o min.out -p pl.prmtop -c pl.inpcrd -r min.rst -inf
> min.mdinfo
>
> *The "min.out" looks like this:*
>
> --------------------------------------------------------------------------------
> 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
>
>
> I really appreciate your help:)
> Thanks.
>
> Sincerely,
> -Mohsen
>
> --
> Mohsen Zakeri, B.Sc.
> ECE Department, Computer Engineering
> University of Tehran, Tehran, Iran
> _______________________________________________
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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Tue Jul 21 2015 - 15:00:03 PDT
