Re: AMBER: sander error about fortran

From: Scott Brozell <sbrozell.scripps.edu>
Date: Mon, 4 Dec 2006 13:26:52 -0800

Hi,

Obviously, you need a correct prmtop file.
So you need to figure out why the one you attached has size zero.
If you are using sander independently of mm_pbsa then maybe that
prmtop is correct ? All this is in the realm of operator error.

Scott

On Mon, 4 Dec 2006, Shuting Wei wrote:

> What I can do to solve this problem? The sander program looks fine
> when i use it along (e.g. energy minimization and equilibration).
>
> At 02:10 AM 12/2/2006, you wrote:
> >Hi,
> >
> >On Fri, 1 Dec 2006, Shuting Wei wrote:
> >
> > > I got error when i run mm_pbsa.pl, the error is from sander:
> > >
> > > At line 423 of file _rdparm.f
> > > Fortran runtime error: End of file
> > > /Users/Shuting/amber9/exe/sander -O -i sander_com.in -o
> > > sander_com.1.out -c ./testrun_Nmode_ABN_cmplx_1.crd_com.crd.1 -p
> > > ABN_1.prmtop not successful
> > >
> > > Attached the input files, I am using amber9 on Mac OS X Tiger, the
> > > compiler is gfortran.
> >
> >Your attached prmtop is empty:
> >
> > 0 -rw-r--r-- 1 scott scott 0 Nov 30 04:55 ABN_1.prmtop
> >
> >This also smells like the source of your rdparm error.
> >
> >Scott
> >
> >-----------------------------------------------------------------------
> >The AMBER Mail Reflector
> >To post, send mail to amber.scripps.edu
> >To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
>
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber.scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
>

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Dec 06 2006 - 06:07:35 PST
Custom Search