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
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jun 27 2018 - 02:30:02 PDT
