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

From: Anju Sharma <anju.020384.gmail.com>
Date: Tue, 7 Aug 2007 11:02:43 +0530

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.scripps.edu> wrote:
>
> On Mon, Aug 06, 2007, Anju Sharma wrote:
>
> > [root.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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Received on Wed Aug 08 2007 - 06:07:33 PDT
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