AMBER Archive (2007)

Subject: Re: AMBER: Problem while carrying out minimisation of drug molecule using sander

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Tue Aug 07 2007 - 05:57:53 CDT

it is the file you specified after the -i flag.
check that one.

On 8/7/07, Anju Sharma <anju.020384_at_gmail.com> wrote:
> Hello Sir,
> There is no such file (Unit 9) neither in my work directory nor in
> amber8/exe directory, what should i do now.
>
> On 8/6/07, David A. Case < case_at_scripps.edu> wrote:
> > On Mon, Aug 06, 2007, Anju Sharma wrote:
> >
> > > [ root_at_amber MTX]# /usr/local/amber8/exe/sander -O -i
> > > /usr/local/Anju/Project/MTX/mtx_vac_init_min.in -o
> > > /usr/local/Anju/Project/MTX/mtx_vac_init_min.out -c
> > > /usr/local/Anju/Project/MTX/mtx_vac.inpcrd -p
> > > /usr/local/Anju/Project/MTX/mtx_vac.prmtop -r
> > > /usr/local/Anju/Project/MTX/mtx_vac_init_min.rst
> > > forrtl: No such file or directory
> > > forrtl: severe (29): file not found, unit 9, file
> >
> > Unit 9 is the file for the input coordinates. So you need to check if
> that
> > file exists with the proper permissions and contents.
> >
> > ...dac
> >
> >
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>
>
>
> --
> Anju Sharma
> Project Fellow,
> NIT, Hamirpur (H.P.)
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