Thank you:) it was really useful!
On Wed, Jul 22, 2015 at 2:11 AM, Hai Nguyen <nhai.qn.gmail.com> wrote:
> Hi,
>
> did you try solution from google search yet?
>
>
> https://www.google.com/search?q=Box+info+not+found+in+inpcrd&rlz=1C1CHMO_enUS485US485&oq=Box+info+not+found+in+inpcrd&aqs=chrome..69i57&sourceid=chrome&es_sm=93&ie=UTF-8#q=Box+info+not+found+in+inpcrd&tbas=0
>
> Hai
>
> On Tue, Jul 21, 2015 at 5:29 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
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
> _______________________________________________
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>
--
Mohsen Zakeri, B.Sc.
ECE Department, Computer Engineering
University of Tehran, Tehran, Iran
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Received on Tue Jul 21 2015 - 15:30:02 PDT
