Hi Rakesh
These warnings come while reading the input parameters of the script. I do
not know the exact meaning of these warnings but irrespective of the script
these always come while running the rism1d script. I think these are just
the starting warnings which indicate that all the input parameters
mentioned in the script are read correctly.
Your script is running correctly.
On Wed, Jun 27, 2018 at 3:54 PM, Rakesh Srivastava <allahabad.21.gmail.com>
wrote:
> Hello Leena, I am attaching the script.
> Thanks.
>
> Rakesh Srivastava
> Research Fellow
> School of Computational & Integrative Sciences
> Jawaharlal Nehru University, New Delhi-110067
> India
>
>
>
> On Wed, Jun 27, 2018 at 2:42 PM Leena Aggarwal <leena.hrc.gmail.com>
> wrote:
>
> > Can you send me TP3_NaCl.inp script.
> >
> > On Wed, Jun 27, 2018 at 11:04 AM, Rakesh Srivastava <
> > allahabad.21.gmail.com>
> > wrote:
> >
> > > Hello all, when I run the rism1d script for solvent preparation, the
> out
> > > file starts with following warnings. Can you please tell me what these
> > > warnings mean.
> > >
> > > reading input data file: TP3_NaCl.inp
> > > WARNING> 'closur' is deprecated
> > > WARNING> 'outlst' is deprecated
> > > WARNING> 'routup' is deprecated
> > > WARNING> 'toutup' is deprecated
> > > WARNING> 'kshow' is deprecated
> > > WARNING> 'nis' is deprecated
> > > WARNING> 'maxste' is deprecated
> > > WARNING> 'delvv' is deprecated
> > > WARNING> 'tolvv' is deprecated
> > > WARNING> 'temper' is deprecated
> > >
> > > Thanks.
> > >
> > > Rakesh Srivastava
> > > Research Fellow
> > > School of Computational & Integrative Sciences
> > > Jawaharlal Nehru University, New Delhi-110067
> > > India
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Received on Wed Jun 27 2018 - 06:00:04 PDT
