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 - 03:30:02 PDT
